data_a10e # # mmCIF generated by CNS module exportmmcifstruct (V 1.1) # data_a10e # _entry.id a10e # _struct.entry_id a10e _struct.title ; "a10eTrig" ; # _computing.entry_id a10e _computing.structure_refinement 'CNS 1.1' # # _software.name 'Crystallography & NMR System' _software.version 1.1 _software.date 1998 _software.type package _software.contact_author 'Axel T. Brunger' _software.contact_author_email 'axel.brunger@yale.edu' _software.location . _software.classification refinement _software.language Fortran _software.citation_id 1 # # _citation.id 1 _citation.title 'Crystallography & NMR System' _citation.year 1998 _citation.details 'Acta Cryst. D 54, 905-921' # # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 1 1 'Brunger, A.T.' 1 2 'Adams, P.D.' 1 3 'Clore, G.M.' 1 4 'Delano, W.L.' 1 5 'Gros, P.' 1 6 'Grosse-Kunstleve, R.' 1 7 'Jiang, J.-S.' 1 8 'Kuszewski, J.' 1 9 'Nilges, M.' 1 10 'Pannu, N.S.' 1 11 'Read, R.J.' 1 12 'Rice, L.M.' 1 13 'Simonson, T.' 1 14 'Warren, G.' # # loop_ _entity.id _entity.type 1 'polymer' 2 'polymer' 2 'non-polymer' 3 'water' # # loop_ _struct_asym.id _struct_asym.entity_id 1 1 4 2 5 2 # # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pntr1_label_comp_id _struct_conn.pntr1_label_seq_id _struct_conn.pntr1_label_asym_id _struct_conn.pntr1_label_atom_id _struct_conn.pntr1_label_alt_id _struct_conn.pntr2_label_comp_id _struct_conn.pntr2_label_seq_id _struct_conn.pntr2_label_asym_id _struct_conn.pntr2_label_atom_id _struct_conn.pntr2_label_alt_id 1 'disulf' CYS 64 1 'SG' . CYS 91 1 'SG' . 2 'disulf' CYS 251 1 'SG' . CYS 262 1 'SG' . 3 'disulf' CYS 399 1 'SG' . CYS 514 1 'SG' . # _struct_conn_type.id 'disulf' _struct_conn_type.criteria 'CYS to CYS distance < 2.3 Angstroms' # _cell.entry_id a10e _cell.length_a 111.449 _cell.length_b 111.449 _cell.length_c 137.095 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 # # _symmetry.entry_id a10e _symmetry.space_group_name_H-M 'P 31 2 1' # # _atom_sites.entry_id a10e _atom_sites.cartn_transf_matrix[1][1] 1.000000 _atom_sites.cartn_transf_matrix[1][2] 0.000000 _atom_sites.cartn_transf_matrix[1][3] 0.000000 _atom_sites.cartn_transf_matrix[2][1] 0.000000 _atom_sites.cartn_transf_matrix[2][2] 1.000000 _atom_sites.cartn_transf_matrix[2][3] 0.000000 _atom_sites.cartn_transf_matrix[3][1] 0.000000 _atom_sites.cartn_transf_matrix[3][2] 0.000000 _atom_sites.cartn_transf_matrix[3][3] 1.000000 _atom_sites.cartn_transf_vector[1] 0.000000 _atom_sites.cartn_transf_vector[2] 0.000000 _atom_sites.cartn_transf_vector[3] 0.000000 _atom_sites.fract_transf_matrix[1][1] 0.008973 _atom_sites.fract_transf_matrix[1][2] 0.005180 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010361 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.007294 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_vector[3] 0.000000 # # loop_ _atom_site.id _atom_site.cns_atom_id _atom_site.atom_type_symbol _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_seq_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.auth_seq_id _atom_site.label_alt_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv 1 1 C 'CB' SER 1 1 1 '4' . -13.692 87.901 37.000 1.00 57.63 2 2 O 'OG' SER 1 1 1 '4' . -13.051 88.054 38.275 1.00 59.08 3 3 C 'C' SER 1 1 1 '4' . -11.504 86.935 36.298 1.00 55.62 4 4 O 'O' SER 1 1 1 '4' . -11.574 85.718 36.135 1.00 55.13 5 5 N 'N' SER 1 1 1 '4' . -13.305 87.499 34.546 1.00 56.93 6 6 C 'CA' SER 1 1 1 '4' . -12.654 87.872 35.860 1.00 57.27 7 7 N 'N' GLU 2 1 1 '5' . -10.471 87.531 36.886 1.00 53.87 8 8 C 'CA' GLU 2 1 1 '5' . -9.326 86.808 37.370 1.00 52.78 9 9 C 'CB' GLU 2 1 1 '5' . -8.270 87.800 37.849 1.00 54.81 10 10 C 'CG' GLU 2 1 1 '5' . -6.960 87.127 38.193 1.00 58.74 11 11 C 'CD' GLU 2 1 1 '5' . -5.824 88.091 38.429 1.00 60.49 12 12 O 'OE1' GLU 2 1 1 '5' . -5.965 89.006 39.249 1.00 61.87 13 13 O 'OE2' GLU 2 1 1 '5' . -4.761 87.925 37.803 1.00 65.23 14 14 C 'C' GLU 2 1 1 '5' . -9.680 85.819 38.508 1.00 50.88 15 15 O 'O' GLU 2 1 1 '5' . -8.975 84.849 38.711 1.00 49.87 16 16 N 'N' LEU 3 1 1 '6' . -10.778 86.051 39.224 1.00 47.95 17 17 C 'CA' LEU 3 1 1 '6' . -11.154 85.177 40.320 1.00 45.72 18 18 C 'CB' LEU 3 1 1 '6' . -11.709 85.999 41.496 1.00 43.94 19 19 C 'CG' LEU 3 1 1 '6' . -10.670 86.894 42.176 1.00 44.16 20 20 C 'CD1' LEU 3 1 1 '6' . -11.352 87.846 43.207 1.00 41.43 21 21 C 'CD2' LEU 3 1 1 '6' . -9.635 85.994 42.893 1.00 43.31 22 22 C 'C' LEU 3 1 1 '6' . -12.145 84.097 39.949 1.00 44.39 23 23 O 'O' LEU 3 1 1 '6' . -12.536 83.272 40.790 1.00 43.96 24 24 N 'N' LEU 4 1 1 '7' . -12.535 84.070 38.690 1.00 43.78 25 25 C 'CA' LEU 4 1 1 '7' . -13.499 83.070 38.258 1.00 43.98 26 26 C 'CB' LEU 4 1 1 '7' . -14.649 83.734 37.476 1.00 46.09 27 27 C 'CG' LEU 4 1 1 '7' . -15.794 82.821 37.022 1.00 49.62 28 28 C 'CD1' LEU 4 1 1 '7' . -16.453 82.175 38.284 1.00 49.94 29 30 C 'C' LEU 4 1 1 '7' . -12.775 82.054 37.392 1.00 42.66 30 31 O 'O' LEU 4 1 1 '7' . -12.077 82.420 36.446 1.00 42.37 31 32 N 'N' VAL 5 1 1 '8' . -12.896 80.776 37.741 1.00 40.56 32 33 C 'CA' VAL 5 1 1 '8' . -12.237 79.767 36.947 1.00 39.31 33 34 C 'CB' VAL 5 1 1 '8' . -10.942 79.226 37.647 1.00 40.66 34 35 C 'CG1' VAL 5 1 1 '8' . -10.354 78.033 36.866 1.00 38.27 35 36 C 'CG2' VAL 5 1 1 '8' . -9.909 80.326 37.747 1.00 36.21 36 37 C 'C' VAL 5 1 1 '8' . -13.194 78.634 36.652 1.00 39.43 37 38 O 'O' VAL 5 1 1 '8' . -13.934 78.156 37.500 1.00 39.22 38 39 N 'N' ASN 6 1 1 '9' . -13.173 78.220 35.411 1.00 41.01 39 40 C 'CA' ASN 6 1 1 '9' . -14.018 77.144 34.959 1.00 43.47 40 41 C 'CB' ASN 6 1 1 '9' . -14.528 77.458 33.587 1.00 46.72 41 42 C 'CG' ASN 6 1 1 '9' . -15.983 77.195 33.487 1.00 55.92 42 43 O 'OD1' ASN 6 1 1 '9' . -16.469 76.058 33.784 1.00 57.61 43 44 N 'ND2' ASN 6 1 1 '9' . -16.735 78.244 33.102 1.00 58.32 44 45 C 'C' ASN 6 1 1 '9' . -13.284 75.809 34.914 1.00 42.02 45 46 O 'O' ASN 6 1 1 '9' . -12.430 75.614 34.070 1.00 42.13 46 47 N 'N' THR 7 1 1 '10' . -13.635 74.884 35.798 1.00 40.43 47 48 C 'CA' THR 7 1 1 '10' . -12.946 73.604 35.814 1.00 39.69 48 49 C 'CB' THR 7 1 1 '10' . -12.588 73.160 37.264 1.00 38.30 49 50 O 'OG1' THR 7 1 1 '10' . -13.772 72.631 37.879 1.00 36.07 50 51 C 'CG2' THR 7 1 1 '10' . -12.042 74.343 38.120 1.00 34.60 51 52 C 'C' THR 7 1 1 '10' . -13.883 72.550 35.248 1.00 40.31 52 53 O 'O' THR 7 1 1 '10' . -15.069 72.819 35.034 1.00 39.57 53 54 N 'N' LYS 8 1 1 '11' . -13.348 71.340 35.067 1.00 40.06 54 55 C 'CA' LYS 8 1 1 '11' . -14.106 70.195 34.568 1.00 39.15 55 56 C 'CB' LYS 8 1 1 '11' . -13.154 69.011 34.292 1.00 38.62 56 57 C 'CG' LYS 8 1 1 '11' . -12.102 69.317 33.201 1.00 37.95 57 58 C 'CD' LYS 8 1 1 '11' . -10.982 68.275 33.097 1.00 35.36 58 59 C 'CE' LYS 8 1 1 '11' . -10.197 68.561 31.828 1.00 32.93 59 60 N 'NZ' LYS 8 1 1 '11' . -8.904 67.854 31.740 1.00 35.38 60 61 C 'C' LYS 8 1 1 '11' . -15.167 69.788 35.594 1.00 39.94 61 62 O 'O' LYS 8 1 1 '11' . -16.083 69.033 35.273 1.00 39.36 62 63 N 'N' SER 9 1 1 '12' . -15.046 70.275 36.825 1.00 39.91 63 64 C 'CA' SER 9 1 1 '12' . -16.021 69.944 37.862 1.00 42.57 64 65 C 'CB' SER 9 1 1 '12' . -15.314 69.725 39.214 1.00 44.36 65 66 O 'OG' SER 9 1 1 '12' . -14.497 68.552 39.186 1.00 48.76 66 67 C 'C' SER 9 1 1 '12' . -17.091 71.046 38.028 1.00 43.18 67 68 O 'O' SER 9 1 1 '12' . -18.138 70.827 38.657 1.00 41.57 68 69 N 'N' GLY 10 1 1 '13' . -16.817 72.221 37.451 1.00 43.56 69 70 C 'CA' GLY 10 1 1 '13' . -17.733 73.342 37.566 1.00 42.78 70 71 C 'C' GLY 10 1 1 '13' . -16.936 74.615 37.744 1.00 42.76 71 72 O 'O' GLY 10 1 1 '13' . -15.697 74.552 37.761 1.00 43.01 72 73 N 'N' LYS 11 1 1 '14' . -17.625 75.756 37.875 1.00 42.01 73 74 C 'CA' LYS 11 1 1 '14' . -16.962 77.068 38.044 1.00 40.74 74 75 C 'CB' LYS 11 1 1 '14' . -17.821 78.243 37.546 1.00 42.04 75 76 C 'CG' LYS 11 1 1 '14' . -18.496 78.040 36.174 1.00 47.67 76 77 C 'CD' LYS 11 1 1 '14' . -18.852 79.413 35.514 1.00 51.80 77 78 C 'CE' LYS 11 1 1 '14' . -19.744 79.293 34.243 1.00 52.80 78 79 N 'NZ' LYS 11 1 1 '14' . -19.971 80.661 33.609 1.00 55.86 79 80 C 'C' LYS 11 1 1 '14' . -16.685 77.275 39.514 1.00 39.58 80 81 O 'O' LYS 11 1 1 '14' . -17.435 76.847 40.383 1.00 39.58 81 82 N 'N' VAL 12 1 1 '15' . -15.607 77.964 39.790 1.00 38.48 82 83 C 'CA' VAL 12 1 1 '15' . -15.212 78.182 41.152 1.00 39.57 83 84 C 'CB' VAL 12 1 1 '15' . -14.003 77.191 41.486 1.00 39.81 84 85 C 'CG1' VAL 12 1 1 '15' . -12.769 77.609 40.742 1.00 41.99 85 86 C 'CG2' VAL 12 1 1 '15' . -13.695 77.191 42.898 1.00 42.85 86 87 C 'C' VAL 12 1 1 '15' . -14.827 79.660 41.179 1.00 38.67 87 88 O 'O' VAL 12 1 1 '15' . -14.292 80.181 40.201 1.00 36.44 88 89 N 'N' MET 13 1 1 '16' . -15.138 80.330 42.283 1.00 40.59 89 90 C 'CA' MET 13 1 1 '16' . -14.836 81.760 42.457 1.00 41.54 90 91 C 'CB' MET 13 1 1 '16' . -16.136 82.556 42.700 1.00 45.73 91 92 C 'CG' MET 13 1 1 '16' . -15.993 84.066 42.944 1.00 49.94 92 93 S 'SD' MET 13 1 1 '16' . -15.590 84.970 41.412 1.00 56.72 93 94 C 'CE' MET 13 1 1 '16' . -15.087 86.634 42.231 1.00 59.18 94 95 C 'C' MET 13 1 1 '16' . -13.916 81.941 43.644 1.00 40.69 95 96 O 'O' MET 13 1 1 '16' . -14.256 81.590 44.805 1.00 39.64 96 97 N 'N' GLY 14 1 1 '17' . -12.762 82.517 43.346 1.00 39.69 97 98 C 'CA' GLY 14 1 1 '17' . -11.786 82.744 44.377 1.00 41.98 98 99 C 'C' GLY 14 1 1 '17' . -11.946 84.068 45.093 1.00 43.88 99 100 O 'O' GLY 14 1 1 '17' . -12.999 84.711 45.031 1.00 43.19 100 101 N 'N' THR 15 1 1 '18' . -10.877 84.455 45.781 1.00 45.66 101 102 C 'CA' THR 15 1 1 '18' . -10.818 85.691 46.543 1.00 47.65 102 103 C 'CB' THR 15 1 1 '18' . -11.104 85.477 48.037 1.00 48.56 103 104 O 'OG1' THR 15 1 1 '18' . -10.922 86.724 48.711 1.00 50.45 104 105 C 'CG2' THR 15 1 1 '18' . -10.144 84.437 48.665 1.00 49.64 105 106 C 'C' THR 15 1 1 '18' . -9.439 86.248 46.411 1.00 47.59 106 107 O 'O' THR 15 1 1 '18' . -8.491 85.500 46.287 1.00 47.98 107 108 N 'N' ARG 16 1 1 '19' . -9.328 87.568 46.411 1.00 48.99 108 109 C 'CA' ARG 16 1 1 '19' . -8.043 88.244 46.267 1.00 49.43 109 110 C 'CB' ARG 16 1 1 '19' . -8.276 89.589 45.571 1.00 52.13 110 111 C 'CG' ARG 16 1 1 '19' . -7.106 90.524 45.629 1.00 57.65 111 112 C 'CD' ARG 16 1 1 '19' . -7.151 91.586 44.548 1.00 62.20 112 113 N 'NE' ARG 16 1 1 '19' . -5.984 91.442 43.668 1.00 67.75 113 114 C 'CZ' ARG 16 1 1 '19' . -5.181 92.434 43.283 1.00 68.88 114 115 N 'NH1' ARG 16 1 1 '19' . -5.419 93.690 43.700 1.00 68.78 115 116 N 'NH2' ARG 16 1 1 '19' . -4.125 92.149 42.506 1.00 68.20 116 117 C 'C' ARG 16 1 1 '19' . -7.409 88.396 47.665 1.00 48.65 117 118 O 'O' ARG 16 1 1 '19' . -8.087 88.782 48.602 1.00 49.32 118 119 N 'N' VAL 17 1 1 '20' . -6.135 88.031 47.821 1.00 47.19 119 120 C 'CA' VAL 17 1 1 '20' . -5.485 88.123 49.130 1.00 46.53 120 121 C 'CB' VAL 17 1 1 '20' . -5.123 86.707 49.753 1.00 47.87 121 122 C 'CG1' VAL 17 1 1 '20' . -6.354 85.860 49.881 1.00 47.69 122 123 C 'CG2' VAL 17 1 1 '20' . -4.095 85.991 48.901 1.00 48.49 123 124 C 'C' VAL 17 1 1 '20' . -4.208 88.938 49.054 1.00 44.34 124 125 O 'O' VAL 17 1 1 '20' . -3.494 88.880 48.068 1.00 44.24 125 126 N 'N' PRO 18 1 1 '21' . -3.927 89.727 50.097 1.00 44.01 126 127 C 'CD' PRO 18 1 1 '21' . -4.796 89.990 51.270 1.00 43.87 127 128 C 'CA' PRO 18 1 1 '21' . -2.718 90.559 50.127 1.00 44.88 128 129 C 'CB' PRO 18 1 1 '21' . -3.105 91.694 51.101 1.00 43.76 129 130 C 'CG' PRO 18 1 1 '21' . -3.962 90.967 52.124 1.00 42.93 130 131 C 'C' PRO 18 1 1 '21' . -1.526 89.709 50.590 1.00 45.35 131 132 O 'O' PRO 18 1 1 '21' . -1.693 88.786 51.414 1.00 45.58 132 133 N 'N' VAL 19 1 1 '22' . -0.348 90.021 50.042 1.00 44.87 133 134 C 'CA' VAL 19 1 1 '22' . 0.898 89.316 50.330 1.00 44.78 134 135 C 'CB' VAL 19 1 1 '22' . 1.296 88.261 49.241 1.00 45.50 135 136 C 'CG1' VAL 19 1 1 '22' . 2.121 87.157 49.854 1.00 43.38 136 137 C 'CG2' VAL 19 1 1 '22' . 0.115 87.837 48.459 1.00 45.24 137 138 C 'C' VAL 19 1 1 '22' . 2.040 90.282 50.161 1.00 44.38 138 139 O 'O' VAL 19 1 1 '22' . 2.242 90.758 49.050 1.00 42.05 139 140 N 'N' LEU 20 1 1 '23' . 2.825 90.509 51.210 1.00 46.23 140 141 C 'CA' LEU 20 1 1 '23' . 4.006 91.375 51.112 1.00 48.13 141 142 C 'CB' LEU 20 1 1 '23' . 5.153 90.535 50.516 1.00 46.69 142 143 C 'CG' LEU 20 1 1 '23' . 5.454 89.257 51.315 1.00 45.95 143 144 C 'CD1' LEU 20 1 1 '23' . 6.533 88.458 50.622 1.00 44.61 144 145 C 'CD2' LEU 20 1 1 '23' . 5.876 89.638 52.748 1.00 45.70 145 146 C 'C' LEU 20 1 1 '23' . 3.771 92.666 50.269 1.00 49.41 146 147 O 'O' LEU 20 1 1 '23' . 4.500 92.949 49.300 1.00 49.00 147 148 N 'N' SER 21 1 1 '24' . 2.718 93.395 50.644 1.00 50.88 148 149 C 'CA' SER 21 1 1 '24' . 2.287 94.646 50.000 1.00 52.70 149 150 C 'CB' SER 21 1 1 '24' . 3.376 95.716 50.143 1.00 52.97 150 151 O 'OG' SER 21 1 1 '24' . 4.249 95.646 49.024 1.00 56.27 151 152 C 'C' SER 21 1 1 '24' . 1.828 94.531 48.519 1.00 52.35 152 153 O 'O' SER 21 1 1 '24' . 1.780 95.536 47.785 1.00 52.80 153 154 N 'N' SER 22 1 1 '25' . 1.491 93.311 48.089 1.00 50.93 154 155 C 'CA' SER 22 1 1 '25' . 0.964 93.056 46.749 1.00 48.59 155 156 C 'CB' SER 22 1 1 '25' . 2.026 92.428 45.831 1.00 50.10 156 157 O 'OG' SER 22 1 1 '25' . 1.520 92.232 44.510 1.00 50.53 157 158 C 'C' SER 22 1 1 '25' . -0.250 92.146 46.928 1.00 47.39 158 159 O 'O' SER 22 1 1 '25' . -0.840 92.110 48.021 1.00 46.01 159 160 N 'N' HIS 23 1 1 '26' . -0.644 91.403 45.894 1.00 47.78 160 161 C 'CA' HIS 23 1 1 '26' . -1.845 90.538 45.998 1.00 48.11 161 162 C 'CB' HIS 23 1 1 '26' . -3.139 91.313 45.641 1.00 52.55 162 163 C 'CG' HIS 23 1 1 '26' . -3.395 92.557 46.457 1.00 58.24 163 164 C 'CD2' HIS 23 1 1 '26' . -4.213 92.773 47.525 1.00 59.90 164 165 N 'ND1' HIS 23 1 1 '26' . -2.814 93.783 46.169 1.00 60.04 165 166 C 'CE1' HIS 23 1 1 '26' . -3.264 94.694 47.024 1.00 61.42 166 167 N 'NE2' HIS 23 1 1 '26' . -4.114 94.108 47.857 1.00 61.18 167 168 C 'C' HIS 23 1 1 '26' . -1.798 89.332 45.045 1.00 47.82 168 169 O 'O' HIS 23 1 1 '26' . -1.099 89.361 44.015 1.00 45.80 169 170 N 'N' ILE 24 1 1 '27' . -2.559 88.284 45.387 1.00 45.89 170 171 C 'CA' ILE 24 1 1 '27' . -2.675 87.097 44.553 1.00 44.74 171 172 C 'CB' ILE 24 1 1 '27' . -1.655 85.975 44.899 1.00 44.13 172 173 C 'CG2' ILE 24 1 1 '27' . -0.277 86.467 44.623 1.00 46.37 173 174 C 'CG1' ILE 24 1 1 '27' . -1.758 85.562 46.358 1.00 44.48 174 176 C 'C' ILE 24 1 1 '27' . -4.076 86.575 44.718 1.00 43.95 175 177 O 'O' ILE 24 1 1 '27' . -4.825 87.067 45.555 1.00 44.65 176 178 N 'N' SER 25 1 1 '28' . -4.441 85.590 43.920 1.00 41.58 177 179 C 'CA' SER 25 1 1 '28' . -5.778 85.049 44.010 1.00 40.85 178 180 C 'CB' SER 25 1 1 '28' . -6.334 84.671 42.628 1.00 40.41 179 181 O 'OG' SER 25 1 1 '28' . -6.003 85.573 41.588 1.00 40.70 180 182 C 'C' SER 25 1 1 '28' . -5.667 83.761 44.819 1.00 41.45 181 183 O 'O' SER 25 1 1 '28' . -4.647 83.056 44.746 1.00 41.15 182 184 N 'N' ALA 26 1 1 '29' . -6.709 83.438 45.571 1.00 39.47 183 185 C 'CA' ALA 26 1 1 '29' . -6.696 82.202 46.320 1.00 39.97 184 186 C 'CB' ALA 26 1 1 '29' . -6.472 82.447 47.826 1.00 38.26 185 187 C 'C' ALA 26 1 1 '29' . -8.024 81.539 46.081 1.00 40.14 186 188 O 'O' ALA 26 1 1 '29' . -9.063 82.194 46.062 1.00 41.98 187 189 N 'N' PHE 27 1 1 '30' . -7.989 80.242 45.844 1.00 39.00 188 190 C 'CA' PHE 27 1 1 '30' . -9.203 79.493 45.641 1.00 38.51 189 191 C 'CB' PHE 27 1 1 '30' . -9.177 78.819 44.274 1.00 37.78 190 192 C 'CG' PHE 27 1 1 '30' . -9.111 79.795 43.118 1.00 36.44 191 193 C 'CD1' PHE 27 1 1 '30' . -7.886 80.336 42.721 1.00 35.80 192 194 C 'CD2' PHE 27 1 1 '30' . -10.293 80.185 42.445 1.00 36.71 193 195 C 'CE1' PHE 27 1 1 '30' . -7.802 81.262 41.668 1.00 37.97 194 196 C 'CE2' PHE 27 1 1 '30' . -10.256 81.116 41.375 1.00 36.47 195 197 C 'CZ' PHE 27 1 1 '30' . -9.000 81.664 40.979 1.00 38.67 196 198 C 'C' PHE 27 1 1 '30' . -9.142 78.481 46.768 1.00 39.20 197 199 O 'O' PHE 27 1 1 '30' . -8.458 77.461 46.690 1.00 41.24 198 200 N 'N' LEU 28 1 1 '31' . -9.824 78.794 47.840 1.00 38.80 199 201 C 'CA' LEU 28 1 1 '31' . -9.811 77.963 49.014 1.00 39.78 200 202 C 'CB' LEU 28 1 1 '31' . -9.783 78.868 50.254 1.00 37.87 201 203 C 'CG' LEU 28 1 1 '31' . -8.732 79.968 50.116 1.00 40.24 202 204 C 'CD1' LEU 28 1 1 '31' . -8.661 80.821 51.390 1.00 37.88 203 205 C 'CD2' LEU 28 1 1 '31' . -7.359 79.318 49.845 1.00 39.40 204 206 C 'C' LEU 28 1 1 '31' . -11.019 77.055 49.061 1.00 39.64 205 207 O 'O' LEU 28 1 1 '31' . -12.110 77.445 48.661 1.00 41.58 206 208 N 'N' GLY 29 1 1 '32' . -10.825 75.845 49.563 1.00 38.93 207 209 C 'CA' GLY 29 1 1 '32' . -11.939 74.913 49.708 1.00 38.21 208 210 C 'C' GLY 29 1 1 '32' . -12.590 74.302 48.471 1.00 37.64 209 211 O 'O' GLY 29 1 1 '32' . -13.789 74.122 48.468 1.00 38.37 210 212 N 'N' ILE 30 1 1 '33' . -11.830 73.973 47.433 1.00 36.41 211 213 C 'CA' ILE 30 1 1 '33' . -12.406 73.362 46.245 1.00 36.54 212 214 C 'CB' ILE 30 1 1 '33' . -11.448 73.541 45.024 1.00 36.85 213 215 C 'CG2' ILE 30 1 1 '33' . -11.956 72.732 43.838 1.00 35.96 214 216 C 'CG1' ILE 30 1 1 '33' . -11.275 75.022 44.694 1.00 35.11 215 217 C 'CD1' ILE 30 1 1 '33' . -10.220 75.305 43.634 1.00 32.89 216 218 C 'C' ILE 30 1 1 '33' . -12.551 71.863 46.594 1.00 37.34 217 219 O 'O' ILE 30 1 1 '33' . -11.583 71.237 47.011 1.00 35.96 218 220 N 'N' PRO 31 1 1 '34' . -13.755 71.278 46.427 1.00 37.72 219 221 C 'CD' PRO 31 1 1 '34' . -15.013 71.904 45.947 1.00 38.85 220 222 C 'CA' PRO 31 1 1 '34' . -13.965 69.859 46.750 1.00 37.65 221 223 C 'CB' PRO 31 1 1 '34' . -15.501 69.765 46.876 1.00 38.19 222 224 C 'CG' PRO 31 1 1 '34' . -15.944 70.700 45.729 1.00 39.17 223 225 C 'C' PRO 31 1 1 '34' . -13.404 68.950 45.650 1.00 37.08 224 226 O 'O' PRO 31 1 1 '34' . -13.523 69.290 44.465 1.00 38.22 225 227 N 'N' PHE 32 1 1 '35' . -12.784 67.816 46.001 1.00 34.47 226 228 C 'CA' PHE 32 1 1 '35' . -12.244 66.961 44.932 1.00 34.57 227 229 C 'CB' PHE 32 1 1 '35' . -10.689 66.952 44.906 1.00 32.57 228 230 C 'CG' PHE 32 1 1 '35' . -10.048 66.465 46.200 1.00 33.10 229 231 C 'CD1' PHE 32 1 1 '35' . -10.026 65.100 46.514 1.00 32.69 230 232 C 'CD2' PHE 32 1 1 '35' . -9.527 67.389 47.134 1.00 30.85 231 233 C 'CE1' PHE 32 1 1 '35' . -9.497 64.645 47.741 1.00 32.39 232 234 C 'CE2' PHE 32 1 1 '35' . -8.987 66.961 48.380 1.00 31.83 233 235 C 'CZ' PHE 32 1 1 '35' . -8.971 65.590 48.687 1.00 32.03 234 236 C 'C' PHE 32 1 1 '35' . -12.773 65.560 45.059 1.00 35.18 235 237 O 'O' PHE 32 1 1 '35' . -12.502 64.705 44.227 1.00 37.25 236 238 N 'N' ALA 33 1 1 '36' . -13.576 65.347 46.085 1.00 35.59 237 239 C 'CA' ALA 33 1 1 '36' . -14.137 64.042 46.337 1.00 36.64 238 240 C 'CB' ALA 33 1 1 '36' . -13.229 63.270 47.299 1.00 35.10 239 241 C 'C' ALA 33 1 1 '36' . -15.498 64.232 46.991 1.00 38.87 240 242 O 'O' ALA 33 1 1 '36' . -15.790 65.295 47.562 1.00 39.46 241 243 N 'N' GLU 34 1 1 '37' . -16.339 63.206 46.901 1.00 39.65 242 244 C 'CA' GLU 34 1 1 '37' . -17.612 63.254 47.574 1.00 39.75 243 245 C 'CB' GLU 34 1 1 '37' . -18.480 62.084 47.117 1.00 39.38 244 246 C 'CG' GLU 34 1 1 '37' . -19.064 62.278 45.693 1.00 43.39 245 247 C 'CD' GLU 34 1 1 '37' . -20.049 63.467 45.636 1.00 43.20 246 248 O 'OE1' GLU 34 1 1 '37' . -21.004 63.452 46.426 1.00 45.61 247 249 O 'OE2' GLU 34 1 1 '37' . -19.870 64.407 44.831 1.00 45.47 248 250 C 'C' GLU 34 1 1 '37' . -17.278 63.109 49.063 1.00 39.80 249 251 O 'O' GLU 34 1 1 '37' . -16.344 62.389 49.422 1.00 38.66 250 252 N 'N' PRO 35 1 1 '38' . -18.016 63.815 49.939 1.00 40.46 251 253 C 'CD' PRO 35 1 1 '38' . -19.109 64.757 49.591 1.00 39.82 252 254 C 'CA' PRO 35 1 1 '38' . -17.814 63.748 51.398 1.00 40.11 253 255 C 'CB' PRO 35 1 1 '38' . -19.020 64.521 51.944 1.00 39.41 254 256 C 'CG' PRO 35 1 1 '38' . -19.228 65.602 50.866 1.00 40.12 255 257 C 'C' PRO 35 1 1 '38' . -17.835 62.253 51.810 1.00 41.70 256 258 O 'O' PRO 35 1 1 '38' . -18.771 61.511 51.478 1.00 40.55 257 259 N 'N' PRO 36 1 1 '39' . -16.800 61.788 52.535 1.00 41.94 258 260 C 'CD' PRO 36 1 1 '39' . -15.530 62.458 52.854 1.00 41.58 259 261 C 'CA' PRO 36 1 1 '39' . -16.776 60.378 52.929 1.00 41.60 260 262 C 'CB' PRO 36 1 1 '39' . -15.289 60.081 52.962 1.00 42.59 261 263 C 'CG' PRO 36 1 1 '39' . -14.719 61.332 53.552 1.00 43.23 262 264 C 'C' PRO 36 1 1 '39' . -17.464 60.150 54.267 1.00 44.30 263 265 O 'O' PRO 36 1 1 '39' . -16.833 59.785 55.263 1.00 42.76 264 266 N 'N' VAL 37 1 1 '40' . -18.780 60.375 54.256 1.00 45.52 265 267 C 'CA' VAL 37 1 1 '40' . -19.636 60.278 55.427 1.00 45.36 266 268 C 'CB' VAL 37 1 1 '40' . -20.379 61.617 55.607 1.00 45.29 267 269 C 'CG1' VAL 37 1 1 '40' . -19.358 62.749 55.622 1.00 44.88 268 270 C 'CG2' VAL 37 1 1 '40' . -21.355 61.864 54.407 1.00 43.96 269 271 C 'C' VAL 37 1 1 '40' . -20.651 59.115 55.359 1.00 46.72 270 272 O 'O' VAL 37 1 1 '40' . -20.863 58.495 54.304 1.00 46.83 271 273 N 'N' GLY 38 1 1 '41' . -21.259 58.824 56.504 1.00 46.65 272 274 C 'CA' GLY 38 1 1 '41' . -22.227 57.749 56.598 1.00 47.02 273 275 C 'C' GLY 38 1 1 '41' . -21.589 56.451 56.172 1.00 48.97 274 276 O 'O' GLY 38 1 1 '41' . -20.500 56.063 56.640 1.00 49.14 275 277 N 'N' ASN 39 1 1 '42' . -22.261 55.762 55.265 1.00 49.12 276 278 C 'CA' ASN 39 1 1 '42' . -21.740 54.507 54.781 1.00 48.70 277 279 C 'CB' ASN 39 1 1 '42' . -22.847 53.775 54.026 1.00 54.91 278 280 C 'CG' ASN 39 1 1 '42' . -23.671 52.891 54.969 1.00 61.23 279 281 O 'OD1' ASN 39 1 1 '42' . -23.608 53.054 56.225 1.00 64.82 280 282 N 'ND2' ASN 39 1 1 '42' . -24.433 51.946 54.393 1.00 62.66 281 283 C 'C' ASN 39 1 1 '42' . -20.463 54.615 53.962 1.00 46.04 282 284 O 'O' ASN 39 1 1 '42' . -19.866 53.621 53.630 1.00 45.17 283 285 N 'N' MET 40 1 1 '43' . -20.045 55.825 53.616 0.65 45.81 284 286 C 'CA' MET 40 1 1 '43' . -18.801 55.952 52.870 0.65 45.43 285 287 C 'CB' MET 40 1 1 '43' . -18.845 57.162 51.918 0.65 47.96 286 288 C 'CG' MET 40 1 1 '43' . -19.748 56.963 50.676 0.65 49.80 287 289 S 'SD' MET 40 1 1 '43' . -19.529 58.278 49.429 0.65 54.83 288 291 C 'C' MET 40 1 1 '43' . -17.586 56.042 53.820 0.65 43.73 289 292 O 'O' MET 40 1 1 '43' . -16.438 55.984 53.369 0.65 43.25 290 293 N 'N' ARG 41 1 1 '44' . -17.827 56.164 55.127 1.00 41.23 291 294 C 'CA' ARG 41 1 1 '44' . -16.702 56.233 56.092 1.00 40.04 292 295 C 'CB' ARG 41 1 1 '44' . -17.196 56.396 57.559 1.00 38.72 293 296 C 'CG' ARG 41 1 1 '44' . -16.056 56.274 58.591 1.00 39.75 294 297 C 'CD' ARG 41 1 1 '44' . -16.544 56.218 60.022 1.00 37.27 295 298 N 'NE' ARG 41 1 1 '44' . -17.200 57.438 60.490 1.00 35.61 296 299 C 'CZ' ARG 41 1 1 '44' . -17.869 57.488 61.634 1.00 35.39 297 300 N 'NH1' ARG 41 1 1 '44' . -17.965 56.366 62.367 1.00 34.79 298 301 N 'NH2' ARG 41 1 1 '44' . -18.350 58.650 62.099 1.00 32.71 299 302 C 'C' ARG 41 1 1 '44' . -15.890 54.937 55.930 1.00 39.27 300 303 O 'O' ARG 41 1 1 '44' . -16.459 53.847 55.825 1.00 39.75 301 304 N 'N' PHE 42 1 1 '45' . -14.577 55.078 55.854 1.00 37.42 302 305 C 'CA' PHE 42 1 1 '45' . -13.629 53.975 55.670 1.00 37.99 303 306 C 'CB' PHE 42 1 1 '45' . -13.936 52.747 56.538 1.00 38.28 304 307 C 'CG' PHE 42 1 1 '45' . -14.097 53.055 58.016 1.00 38.83 305 308 C 'CD1' PHE 42 1 1 '45' . -13.145 53.811 58.697 1.00 37.15 306 309 C 'CD2' PHE 42 1 1 '45' . -15.204 52.564 58.724 1.00 37.59 307 310 C 'CE1' PHE 42 1 1 '45' . -13.293 54.079 60.088 1.00 38.54 308 311 C 'CE2' PHE 42 1 1 '45' . -15.376 52.820 60.105 1.00 38.52 309 312 C 'CZ' PHE 42 1 1 '45' . -14.425 53.576 60.795 1.00 37.85 310 313 C 'C' PHE 42 1 1 '45' . -13.499 53.535 54.227 1.00 39.35 311 314 O 'O' PHE 42 1 1 '45' . -12.540 52.825 53.875 1.00 39.38 312 315 N 'N' ARG 43 1 1 '46' . -14.423 53.975 53.369 1.00 40.82 313 316 C 'CA' ARG 43 1 1 '46' . -14.347 53.607 51.956 1.00 42.63 314 317 C 'CB' ARG 43 1 1 '46' . -15.730 53.671 51.279 1.00 47.48 315 318 C 'CG' ARG 43 1 1 '46' . -16.611 52.469 51.457 1.00 54.28 316 319 C 'CD' ARG 43 1 1 '46' . -17.860 52.626 50.566 1.00 60.92 317 320 N 'NE' ARG 43 1 1 '46' . -18.932 51.755 51.047 1.00 68.19 318 321 C 'CZ' ARG 43 1 1 '46' . -20.222 51.864 50.713 1.00 71.54 319 322 N 'NH1' ARG 43 1 1 '46' . -21.104 51.004 51.233 1.00 71.74 320 323 N 'NH2' ARG 43 1 1 '46' . -20.634 52.820 49.861 1.00 72.83 321 324 C 'C' ARG 43 1 1 '46' . -13.400 54.442 51.089 1.00 41.61 322 325 O 'O' ARG 43 1 1 '46' . -13.035 55.577 51.438 1.00 37.40 323 326 N 'N' ARG 44 1 1 '47' . -13.011 53.848 49.955 1.00 40.75 324 327 C 'CA' ARG 44 1 1 '47' . -12.201 54.545 48.981 1.00 42.15 325 328 C 'CB' ARG 44 1 1 '47' . -12.040 53.700 47.710 1.00 44.20 326 329 C 'CG' ARG 44 1 1 '47' . -11.067 52.572 47.890 1.00 51.14 327 330 C 'CD' ARG 44 1 1 '47' . -11.098 51.556 46.740 1.00 56.66 328 331 N 'NE' ARG 44 1 1 '47' . -10.447 50.293 47.145 1.00 62.39 329 332 C 'CZ' ARG 44 1 1 '47' . -9.200 49.935 46.809 1.00 64.46 330 333 N 'NH1' ARG 44 1 1 '47' . -8.438 50.746 46.051 1.00 65.39 331 334 N 'NH2' ARG 44 1 1 '47' . -8.718 48.751 47.196 1.00 64.18 332 335 C 'C' ARG 44 1 1 '47' . -12.948 55.852 48.614 1.00 40.86 333 336 O 'O' ARG 44 1 1 '47' . -14.184 55.912 48.629 1.00 38.63 334 337 N 'N' PRO 45 1 1 '48' . -12.198 56.909 48.298 1.00 38.99 335 338 C 'CD' PRO 45 1 1 '48' . -10.730 57.049 48.178 1.00 39.06 336 339 C 'CA' PRO 45 1 1 '48' . -12.890 58.136 47.937 1.00 38.59 337 340 C 'CB' PRO 45 1 1 '48' . -11.771 59.166 47.916 1.00 37.60 338 341 C 'CG' PRO 45 1 1 '48' . -10.584 58.326 47.326 1.00 37.35 339 342 C 'C' PRO 45 1 1 '48' . -13.538 57.983 46.541 1.00 39.46 340 343 O 'O' PRO 45 1 1 '48' . -13.076 57.203 45.714 1.00 37.23 341 344 N 'N' GLU 46 1 1 '49' . -14.635 58.708 46.332 1.00 40.68 342 345 C 'CA' GLU 46 1 1 '49' . -15.338 58.773 45.044 1.00 42.22 343 346 C 'CB' GLU 46 1 1 '49' . -16.859 58.499 45.208 1.00 44.90 344 347 C 'CG' GLU 46 1 1 '49' . -17.316 57.071 45.671 1.00 52.00 345 348 C 'CD' GLU 46 1 1 '49' . -16.692 55.870 44.870 1.00 57.34 346 349 O 'OE1' GLU 46 1 1 '49' . -16.537 55.952 43.612 1.00 59.59 347 350 O 'OE2' GLU 46 1 1 '49' . -16.365 54.822 45.512 1.00 59.68 348 351 C 'C' GLU 46 1 1 '49' . -15.125 60.256 44.555 1.00 39.84 349 352 O 'O' GLU 46 1 1 '49' . -15.135 61.195 45.363 1.00 37.75 350 353 N 'N' PRO 47 1 1 '50' . -14.935 60.466 43.245 1.00 37.83 351 354 C 'CD' PRO 47 1 1 '50' . -14.982 59.412 42.211 1.00 38.72 352 355 C 'CA' PRO 47 1 1 '50' . -14.727 61.802 42.663 1.00 38.73 353 356 C 'CB' PRO 47 1 1 '50' . -14.485 61.516 41.171 1.00 39.35 354 357 C 'CG' PRO 47 1 1 '50' . -15.150 60.204 40.935 1.00 40.22 355 358 C 'C' PRO 47 1 1 '50' . -15.912 62.731 42.909 1.00 39.41 356 359 O 'O' PRO 47 1 1 '50' . -17.052 62.271 42.969 1.00 39.22 357 360 N 'N' LYS 48 1 1 '51' . -15.660 64.024 43.108 1.00 39.14 358 361 C 'CA' LYS 48 1 1 '51' . -16.766 64.948 43.392 1.00 40.73 359 362 C 'CB' LYS 48 1 1 '51' . -16.192 66.307 43.769 1.00 40.15 360 363 C 'CG' LYS 48 1 1 '51' . -17.205 67.449 43.907 1.00 41.82 361 364 C 'CD' LYS 48 1 1 '51' . -18.123 67.296 45.115 1.00 40.42 362 365 C 'CE' LYS 48 1 1 '51' . -18.916 68.576 45.398 1.00 40.87 363 366 N 'NZ' LYS 48 1 1 '51' . -19.825 68.350 46.553 1.00 42.12 364 367 C 'C' LYS 48 1 1 '51' . -17.709 65.074 42.164 1.00 42.42 365 368 O 'O' LYS 48 1 1 '51' . -17.242 65.226 41.029 1.00 40.60 366 369 N 'N' LYS 49 1 1 '52' . -19.027 64.972 42.382 1.00 43.89 367 370 C 'CA' LYS 49 1 1 '52' . -19.964 65.110 41.256 1.00 43.73 368 371 C 'CB' LYS 49 1 1 '52' . -21.400 64.769 41.673 1.00 45.69 369 372 C 'CG' LYS 49 1 1 '52' . -21.634 63.305 42.071 1.00 47.66 370 376 C 'C' LYS 49 1 1 '52' . -19.915 66.555 40.800 1.00 43.05 371 377 O 'O' LYS 49 1 1 '52' . -19.959 67.494 41.624 1.00 43.12 372 378 N 'N' PRO 50 1 1 '53' . -19.794 66.769 39.486 1.00 43.41 373 379 C 'CD' PRO 50 1 1 '53' . -19.652 65.811 38.377 1.00 42.99 374 380 C 'CA' PRO 50 1 1 '53' . -19.755 68.160 38.997 1.00 44.01 375 381 C 'CB' PRO 50 1 1 '53' . -19.794 67.998 37.473 1.00 43.88 376 382 C 'CG' PRO 50 1 1 '53' . -19.071 66.689 37.274 1.00 44.71 377 383 C 'C' PRO 50 1 1 '53' . -20.984 68.927 39.524 1.00 43.75 378 384 O 'O' PRO 50 1 1 '53' . -22.058 68.334 39.752 1.00 41.11 379 385 N 'N' TRP 51 1 1 '54' . -20.806 70.223 39.740 1.00 43.34 380 386 C 'CA' TRP 51 1 1 '54' . -21.905 71.061 40.222 1.00 45.48 381 387 C 'CB' TRP 51 1 1 '54' . -21.542 71.744 41.549 1.00 43.36 382 388 C 'CG' TRP 51 1 1 '54' . -20.331 72.576 41.424 1.00 40.55 383 389 C 'CD2' TRP 51 1 1 '54' . -18.989 72.146 41.656 1.00 40.69 384 390 C 'CE2' TRP 51 1 1 '54' . -18.134 73.219 41.292 1.00 41.00 385 391 C 'CE3' TRP 51 1 1 '54' . -18.417 70.953 42.135 1.00 39.23 386 392 C 'CD1' TRP 51 1 1 '54' . -20.252 73.852 40.951 1.00 40.53 387 393 N 'NE1' TRP 51 1 1 '54' . -18.929 74.250 40.861 1.00 40.21 388 394 C 'CZ2' TRP 51 1 1 '54' . -16.738 73.129 41.394 1.00 38.92 389 395 C 'CZ3' TRP 51 1 1 '54' . -17.037 70.871 42.230 1.00 37.45 390 396 C 'CH2' TRP 51 1 1 '54' . -16.218 71.953 41.862 1.00 38.58 391 397 C 'C' TRP 51 1 1 '54' . -22.189 72.147 39.191 1.00 46.96 392 398 O 'O' TRP 51 1 1 '54' . -21.299 72.532 38.421 1.00 46.38 393 399 N 'N' SER 52 1 1 '55' . -23.436 72.613 39.142 1.00 48.57 394 400 C 'CA' SER 52 1 1 '55' . -23.737 73.718 38.231 1.00 50.82 395 401 C 'CB' SER 52 1 1 '55' . -25.130 73.569 37.601 1.00 51.74 396 402 O 'OG' SER 52 1 1 '55' . -26.122 73.444 38.602 1.00 55.72 397 403 C 'C' SER 52 1 1 '55' . -23.636 74.964 39.132 1.00 50.24 398 404 O 'O' SER 52 1 1 '55' . -23.539 74.847 40.365 1.00 50.32 399 405 N 'N' GLY 53 1 1 '56' . -23.626 76.150 38.543 1.00 50.50 400 406 C 'CA' GLY 53 1 1 '56' . -23.489 77.333 39.378 1.00 48.55 401 407 C 'C' GLY 53 1 1 '56' . -22.022 77.605 39.703 1.00 48.50 402 408 O 'O' GLY 53 1 1 '56' . -21.104 76.985 39.118 1.00 46.10 403 409 N 'N' VAL 54 1 1 '57' . -21.801 78.498 40.667 1.00 46.60 404 410 C 'CA' VAL 54 1 1 '57' . -20.452 78.906 41.039 1.00 45.81 405 411 C 'CB' VAL 54 1 1 '57' . -20.310 80.437 40.871 1.00 46.25 406 412 C 'CG1' VAL 54 1 1 '57' . -18.954 80.891 41.308 1.00 45.61 407 413 C 'CG2' VAL 54 1 1 '57' . -20.559 80.803 39.406 1.00 45.03 408 414 C 'C' VAL 54 1 1 '57' . -20.070 78.480 42.460 1.00 45.88 409 415 O 'O' VAL 54 1 1 '57' . -20.811 78.759 43.411 1.00 44.06 410 416 N 'N' TRP 55 1 1 '58' . -18.929 77.773 42.597 1.00 43.79 411 417 C 'CA' TRP 55 1 1 '58' . -18.506 77.314 43.916 1.00 42.69 412 418 C 'CB' TRP 55 1 1 '58' . -17.645 76.019 43.818 1.00 41.94 413 419 C 'CG' TRP 55 1 1 '58' . -17.344 75.424 45.182 1.00 40.14 414 420 C 'CD2' TRP 55 1 1 '58' . -17.999 74.303 45.805 1.00 39.07 415 421 C 'CE2' TRP 55 1 1 '58' . -17.522 74.231 47.137 1.00 39.15 416 422 C 'CE3' TRP 55 1 1 '58' . -18.944 73.356 45.366 1.00 38.58 417 423 C 'CD1' TRP 55 1 1 '58' . -16.507 75.949 46.136 1.00 39.79 418 424 N 'NE1' TRP 55 1 1 '58' . -16.616 75.249 47.305 1.00 39.53 419 425 C 'CZ2' TRP 55 1 1 '58' . -17.959 73.253 48.040 1.00 38.07 420 426 C 'CZ3' TRP 55 1 1 '58' . -19.386 72.380 46.264 1.00 39.16 421 427 C 'CH2' TRP 55 1 1 '58' . -18.891 72.339 47.587 1.00 39.40 422 428 C 'C' TRP 55 1 1 '58' . -17.740 78.459 44.557 1.00 41.72 423 429 O 'O' TRP 55 1 1 '58' . -16.837 79.033 43.946 1.00 40.99 424 430 N 'N' ASN 56 1 1 '59' . -18.157 78.815 45.767 1.00 42.53 425 431 C 'CA' ASN 56 1 1 '59' . -17.552 79.902 46.533 1.00 44.49 426 432 C 'CB' ASN 56 1 1 '59' . -18.545 80.385 47.634 1.00 49.05 427 433 C 'CG' ASN 56 1 1 '59' . -18.043 81.619 48.435 1.00 55.12 428 434 O 'OD1' ASN 56 1 1 '59' . -16.876 81.979 48.329 1.00 55.52 429 435 N 'ND2' ASN 56 1 1 '59' . -18.935 82.237 49.243 1.00 62.40 430 436 C 'C' ASN 56 1 1 '59' . -16.286 79.276 47.164 1.00 43.42 431 437 O 'O' ASN 56 1 1 '59' . -16.405 78.432 48.048 1.00 42.37 432 438 N 'N' ALA 57 1 1 '60' . -15.110 79.675 46.672 1.00 41.43 433 439 C 'CA' ALA 57 1 1 '60' . -13.802 79.214 47.161 1.00 40.87 434 440 C 'CB' ALA 57 1 1 '60' . -12.942 78.724 46.008 1.00 39.44 435 441 C 'C' ALA 57 1 1 '60' . -13.115 80.413 47.789 1.00 41.14 436 442 O 'O' ALA 57 1 1 '60' . -11.953 80.713 47.478 1.00 40.85 437 443 N 'N' SER 58 1 1 '61' . -13.819 81.129 48.653 1.00 40.04 438 444 C 'CA' SER 58 1 1 '61' . -13.199 82.308 49.247 1.00 40.53 439 445 C 'CB' SER 58 1 1 '61' . -14.188 83.484 49.200 1.00 39.36 440 446 O 'OG' SER 58 1 1 '61' . -15.308 83.157 50.023 1.00 42.41 441 447 C 'C' SER 58 1 1 '61' . -12.744 82.039 50.683 1.00 39.80 442 448 O 'O' SER 58 1 1 '61' . -12.004 82.832 51.247 1.00 41.00 443 449 N 'N' THR 59 1 1 '62' . -13.174 80.923 51.272 1.00 39.52 444 450 C 'CA' THR 59 1 1 '62' . -12.761 80.603 52.651 1.00 40.62 445 451 C 'CB' THR 59 1 1 '62' . -13.932 80.768 53.601 1.00 40.42 446 452 O 'OG1' THR 59 1 1 '62' . -14.938 79.829 53.225 1.00 43.49 447 453 C 'CG2' THR 59 1 1 '62' . -14.534 82.180 53.479 1.00 45.77 448 454 C 'C' THR 59 1 1 '62' . -12.217 79.174 52.852 1.00 39.14 449 455 O 'O' THR 59 1 1 '62' . -12.618 78.234 52.156 1.00 38.92 450 456 N 'N' TYR 60 1 1 '63' . -11.325 79.001 53.823 1.00 37.85 451 457 C 'CA' TYR 60 1 1 '63' . -10.795 77.655 54.105 1.00 36.22 452 458 C 'CB' TYR 60 1 1 '63' . -9.832 77.675 55.286 1.00 33.54 453 459 C 'CG' TYR 60 1 1 '63' . -8.447 78.135 54.944 1.00 34.98 454 460 C 'CD1' TYR 60 1 1 '63' . -7.766 77.606 53.834 1.00 35.65 455 461 C 'CE1' TYR 60 1 1 '63' . -6.445 77.928 53.592 1.00 33.99 456 462 C 'CD2' TYR 60 1 1 '63' . -7.754 79.018 55.798 1.00 35.65 457 463 C 'CE2' TYR 60 1 1 '63' . -6.419 79.348 55.572 1.00 33.89 458 464 C 'CZ' TYR 60 1 1 '63' . -5.778 78.801 54.476 1.00 35.36 459 465 O 'OH' TYR 60 1 1 '63' . -4.474 79.122 54.263 1.00 36.37 460 466 C 'C' TYR 60 1 1 '63' . -11.881 76.628 54.425 1.00 35.46 461 467 O 'O' TYR 60 1 1 '63' . -12.899 76.943 54.995 1.00 35.10 462 468 N 'N' PRO 61 1 1 '64' . -11.660 75.370 54.044 1.00 34.48 463 469 C 'CD' PRO 61 1 1 '64' . -10.519 74.886 53.236 1.00 35.40 464 470 C 'CA' PRO 61 1 1 '64' . -12.601 74.292 54.300 1.00 33.33 465 471 C 'CB' PRO 61 1 1 '64' . -12.150 73.246 53.289 1.00 34.53 466 472 C 'CG' PRO 61 1 1 '64' . -10.633 73.377 53.363 1.00 31.42 467 473 C 'C' PRO 61 1 1 '64' . -12.417 73.768 55.753 1.00 34.16 468 474 O 'O' PRO 61 1 1 '64' . -11.527 74.213 56.477 1.00 31.54 469 475 N 'N' ASN 62 1 1 '65' . -13.286 72.850 56.156 1.00 33.46 470 476 C 'CA' ASN 62 1 1 '65' . -13.165 72.186 57.425 1.00 36.09 471 477 C 'CB' ASN 62 1 1 '65' . -14.327 71.206 57.612 1.00 39.07 472 478 C 'CG' ASN 62 1 1 '65' . -15.697 71.907 57.693 1.00 43.01 473 479 O 'OD1' ASN 62 1 1 '65' . -15.873 72.867 58.441 1.00 41.26 474 480 N 'ND2' ASN 62 1 1 '65' . -16.665 71.410 56.915 1.00 45.40 475 481 C 'C' ASN 62 1 1 '65' . -11.860 71.334 57.398 1.00 36.29 476 482 O 'O' ASN 62 1 1 '65' . -11.322 71.000 56.333 1.00 35.59 477 483 N 'N' ASN 63 1 1 '66' . -11.373 70.975 58.577 1.00 36.53 478 484 C 'CA' ASN 63 1 1 '66' . -10.197 70.105 58.699 1.00 35.44 479 485 C 'CB' ASN 63 1 1 '66' . -9.322 70.544 59.871 1.00 33.73 480 486 C 'CG' ASN 63 1 1 '66' . -8.780 71.993 59.731 1.00 36.54 481 487 O 'OD1' ASN 63 1 1 '66' . -8.645 72.695 60.734 1.00 36.35 482 488 N 'ND2' ASN 63 1 1 '66' . -8.452 72.419 58.507 1.00 35.26 483 489 C 'C' ASN 63 1 1 '66' . -10.795 68.714 59.027 1.00 35.64 484 490 O 'O' ASN 63 1 1 '66' . -11.888 68.629 59.625 1.00 35.06 485 491 N 'N' CYS 64 1 1 '67' . -10.093 67.639 58.675 1.00 34.19 486 492 C 'CA' CYS 64 1 1 '67' . -10.593 66.297 58.970 1.00 34.86 487 493 C 'C' CYS 64 1 1 '67' . -10.594 66.028 60.450 1.00 35.38 488 494 O 'O' CYS 64 1 1 '67' . -9.864 66.665 61.207 1.00 35.78 489 495 C 'CB' CYS 64 1 1 '67' . -9.748 65.238 58.250 1.00 34.44 490 496 S 'SG' CYS 64 1 1 '67' . -9.784 65.385 56.427 1.00 38.09 491 497 N 'N' GLN 65 1 1 '68' . -11.416 65.072 60.867 1.00 36.56 492 498 C 'CA' GLN 65 1 1 '68' . -11.548 64.710 62.281 1.00 35.98 493 499 C 'CB' GLN 65 1 1 '68' . -12.668 63.678 62.468 1.00 35.74 494 500 C 'CG' GLN 65 1 1 '68' . -14.082 64.224 62.232 1.00 36.17 495 501 C 'CD' GLN 65 1 1 '68' . -14.635 65.021 63.435 1.00 39.16 496 502 O 'OE1' GLN 65 1 1 '68' . -15.752 65.534 63.394 1.00 40.98 497 503 N 'NE2' GLN 65 1 1 '68' . -13.858 65.116 64.495 1.00 36.59 498 504 C 'C' GLN 65 1 1 '68' . -10.223 64.134 62.761 1.00 36.41 499 505 O 'O' GLN 65 1 1 '68' . -9.677 63.230 62.119 1.00 36.64 500 506 N 'N' GLN 66 1 1 '69' . -9.712 64.660 63.873 1.00 34.06 501 507 C 'CA' GLN 66 1 1 '69' . -8.427 64.207 64.405 1.00 35.36 502 508 C 'CB' GLN 66 1 1 '69' . -7.296 64.936 63.660 1.00 34.47 503 509 C 'CG' GLN 66 1 1 '69' . -7.424 66.493 63.690 1.00 32.54 504 510 C 'CD' GLN 66 1 1 '69' . -6.444 67.173 62.714 1.00 34.83 505 511 O 'OE1' GLN 66 1 1 '69' . -5.277 67.483 63.065 1.00 33.38 506 512 N 'NE2' GLN 66 1 1 '69' . -6.905 67.373 61.459 1.00 33.97 507 513 C 'C' GLN 66 1 1 '69' . -8.263 64.448 65.915 1.00 34.67 508 514 O 'O' GLN 66 1 1 '69' . -8.997 65.270 66.522 1.00 32.70 509 515 N 'N' TYR 67 1 1 '70' . -7.305 63.731 66.502 1.00 33.92 510 516 C 'CA' TYR 67 1 1 '70' . -6.964 63.926 67.901 1.00 35.54 511 517 C 'CB' TYR 67 1 1 '70' . -5.892 62.926 68.337 1.00 38.41 512 518 C 'CG' TYR 67 1 1 '70' . -5.321 63.179 69.737 1.00 40.45 513 519 C 'CD1' TYR 67 1 1 '70' . -5.877 62.602 70.912 1.00 40.64 514 520 C 'CE1' TYR 67 1 1 '70' . -5.296 62.889 72.216 1.00 42.02 515 521 C 'CD2' TYR 67 1 1 '70' . -4.227 64.009 69.878 1.00 41.74 516 522 C 'CE2' TYR 67 1 1 '70' . -3.660 64.294 71.131 1.00 44.24 517 523 C 'CZ' TYR 67 1 1 '70' . -4.181 63.752 72.288 1.00 44.73 518 524 O 'OH' TYR 67 1 1 '70' . -3.545 64.177 73.481 1.00 50.40 519 525 C 'C' TYR 67 1 1 '70' . -6.409 65.371 68.002 1.00 37.19 520 526 O 'O' TYR 67 1 1 '70' . -5.690 65.836 67.113 1.00 36.54 521 527 N 'N' VAL 68 1 1 '71' . -6.767 66.096 69.060 1.00 36.91 522 528 C 'CA' VAL 68 1 1 '71' . -6.306 67.474 69.214 1.00 38.46 523 529 C 'CB' VAL 68 1 1 '71' . -7.525 68.448 69.398 1.00 37.48 524 530 C 'CG1' VAL 68 1 1 '71' . -7.074 69.852 69.793 1.00 38.91 525 531 C 'CG2' VAL 68 1 1 '71' . -8.277 68.538 68.076 1.00 38.88 526 532 C 'C' VAL 68 1 1 '71' . -5.325 67.594 70.386 1.00 40.43 527 533 O 'O' VAL 68 1 1 '71' . -5.574 67.088 71.488 1.00 41.42 528 534 N 'N' ASP 69 1 1 '72' . -4.198 68.248 70.139 1.00 41.51 529 535 C 'CA' ASP 69 1 1 '72' . -3.169 68.441 71.162 1.00 40.91 530 536 C 'CB' ASP 69 1 1 '72' . -1.877 68.972 70.520 1.00 41.80 531 537 C 'CG' ASP 69 1 1 '72' . -0.734 69.081 71.508 1.00 42.43 532 538 O 'OD1' ASP 69 1 1 '72' . -0.876 68.678 72.670 1.00 42.20 533 539 O 'OD2' ASP 69 1 1 '72' . 0.331 69.554 71.112 1.00 45.70 534 540 C 'C' ASP 69 1 1 '72' . -3.623 69.464 72.200 1.00 41.09 535 541 O 'O' ASP 69 1 1 '72' . -3.897 70.609 71.869 1.00 41.73 536 542 N 'N' GLU 70 1 1 '73' . -3.681 69.035 73.456 1.00 42.57 537 543 C 'CA' GLU 70 1 1 '73' . -4.035 69.894 74.579 1.00 43.49 538 544 C 'CB' GLU 70 1 1 '73' . -5.365 69.421 75.193 1.00 45.43 539 545 C 'CG' GLU 70 1 1 '73' . -6.563 69.769 74.346 1.00 47.29 540 546 C 'CD' GLU 70 1 1 '73' . -7.888 69.277 74.925 1.00 51.43 541 547 O 'OE1' GLU 70 1 1 '73' . -8.121 69.355 76.169 1.00 50.57 542 548 O 'OE2' GLU 70 1 1 '73' . -8.720 68.829 74.104 1.00 53.30 543 549 C 'C' GLU 70 1 1 '73' . -2.926 69.926 75.657 1.00 42.85 544 550 O 'O' GLU 70 1 1 '73' . -3.155 70.402 76.757 1.00 43.65 545 551 N 'N' GLN 71 1 1 '74' . -1.740 69.413 75.354 1.00 43.33 546 552 C 'CA' GLN 71 1 1 '74' . -0.644 69.427 76.324 1.00 45.44 547 553 C 'CB' GLN 71 1 1 '74' . 0.603 68.751 75.753 1.00 46.94 548 554 C 'CG' GLN 71 1 1 '74' . 0.807 67.328 76.259 1.00 53.77 549 555 C 'CD' GLN 71 1 1 '74' . 1.565 67.251 77.586 1.00 56.74 550 556 O 'OE1' GLN 71 1 1 '74' . 2.573 66.522 77.693 1.00 60.54 551 557 N 'NE2' GLN 71 1 1 '74' . 1.093 67.993 78.607 1.00 57.10 552 558 C 'C' GLN 71 1 1 '74' . -0.247 70.821 76.845 1.00 43.71 553 559 O 'O' GLN 71 1 1 '74' . 0.034 70.975 78.018 1.00 44.26 554 560 N 'N' PHE 72 1 1 '75' . -0.267 71.826 75.980 1.00 41.32 555 561 C 'CA' PHE 72 1 1 '75' . 0.112 73.205 76.338 1.00 40.63 556 562 C 'CB' PHE 72 1 1 '75' . 1.477 73.523 75.691 1.00 37.30 557 563 C 'CG' PHE 72 1 1 '75' . 2.540 72.520 76.050 1.00 36.73 558 564 C 'CD1' PHE 72 1 1 '75' . 2.992 72.403 77.396 1.00 35.11 559 565 C 'CD2' PHE 72 1 1 '75' . 3.068 71.664 75.087 1.00 34.97 560 566 C 'CE1' PHE 72 1 1 '75' . 3.932 71.461 77.746 1.00 33.90 561 567 C 'CE2' PHE 72 1 1 '75' . 4.037 70.696 75.428 1.00 33.45 562 568 C 'CZ' PHE 72 1 1 '75' . 4.470 70.592 76.758 1.00 33.94 563 569 C 'C' PHE 72 1 1 '75' . -0.945 74.205 75.845 1.00 40.26 564 570 O 'O' PHE 72 1 1 '75' . -0.677 74.998 74.944 1.00 38.66 565 571 N 'N' PRO 73 1 1 '76' . -2.140 74.197 76.463 1.00 41.52 566 572 C 'CD' PRO 73 1 1 '76' . -2.438 73.574 77.767 1.00 41.90 567 573 C 'CA' PRO 73 1 1 '76' . -3.238 75.083 76.073 1.00 42.06 568 574 C 'CB' PRO 73 1 1 '76' . -4.193 74.990 77.262 1.00 41.17 569 575 C 'CG' PRO 73 1 1 '76' . -3.955 73.622 77.793 1.00 40.34 570 576 C 'C' PRO 73 1 1 '76' . -2.752 76.485 75.802 1.00 43.35 571 577 O 'O' PRO 73 1 1 '76' . -2.101 77.104 76.651 1.00 43.40 572 578 N 'N' GLY 74 1 1 '77' . -3.042 76.983 74.602 1.00 43.58 573 579 C 'CA' GLY 74 1 1 '77' . -2.604 78.328 74.259 1.00 44.07 574 580 C 'C' GLY 74 1 1 '77' . -1.130 78.560 73.907 1.00 43.81 575 581 O 'O' GLY 74 1 1 '77' . -0.755 79.644 73.454 1.00 46.47 576 582 N 'N' PHE 75 1 1 '78' . -0.271 77.580 74.116 1.00 42.07 577 583 C 'CA' PHE 75 1 1 '78' . 1.143 77.758 73.771 1.00 39.68 578 584 C 'CB' PHE 75 1 1 '78' . 1.946 76.579 74.343 1.00 38.05 579 585 C 'CG' PHE 75 1 1 '78' . 3.412 76.654 74.082 1.00 37.99 580 586 C 'CD1' PHE 75 1 1 '78' . 4.162 77.764 74.528 1.00 38.63 581 587 C 'CD2' PHE 75 1 1 '78' . 4.055 75.620 73.395 1.00 36.67 582 588 C 'CE1' PHE 75 1 1 '78' . 5.524 77.850 74.296 1.00 37.48 583 589 C 'CE2' PHE 75 1 1 '78' . 5.412 75.675 73.152 1.00 39.10 584 590 C 'CZ' PHE 75 1 1 '78' . 6.159 76.805 73.606 1.00 40.08 585 591 C 'C' PHE 75 1 1 '78' . 1.180 77.788 72.240 1.00 39.73 586 592 O 'O' PHE 75 1 1 '78' . 0.691 76.886 71.591 1.00 38.65 587 593 N 'N' SER 76 1 1 '79' . 1.742 78.830 71.645 1.00 41.02 588 594 C 'CA' SER 76 1 1 '79' . 1.751 78.900 70.179 1.00 41.41 589 595 C 'CB' SER 76 1 1 '79' . 2.286 80.244 69.707 1.00 38.25 590 596 O 'OG' SER 76 1 1 '79' . 3.597 80.398 70.223 1.00 41.64 591 597 C 'C' SER 76 1 1 '79' . 2.594 77.771 69.548 1.00 42.09 592 598 O 'O' SER 76 1 1 '79' . 2.300 77.316 68.424 1.00 43.21 593 599 N 'N' GLY 77 1 1 '80' . 3.622 77.319 70.270 1.00 40.96 594 600 C 'CA' GLY 77 1 1 '80' . 4.489 76.271 69.747 1.00 40.24 595 601 C 'C' GLY 77 1 1 '80' . 3.736 75.001 69.356 1.00 39.44 596 602 O 'O' GLY 77 1 1 '80' . 4.046 74.378 68.348 1.00 37.88 597 603 N 'N' SER 78 1 1 '81' . 2.747 74.629 70.163 1.00 38.56 598 604 C 'CA' SER 78 1 1 '81' . 1.969 73.441 69.898 1.00 39.55 599 605 C 'CB' SER 78 1 1 '81' . 1.663 72.699 71.200 1.00 40.48 600 606 O 'OG' SER 78 1 1 '81' . 1.000 73.552 72.101 1.00 43.40 601 607 C 'C' SER 78 1 1 '81' . 0.654 73.717 69.178 1.00 39.47 602 608 O 'O' SER 78 1 1 '81' . 0.219 72.897 68.367 1.00 37.68 603 609 N 'N' GLU 79 1 1 '82' . 0.017 74.851 69.459 1.00 39.18 604 610 C 'CA' GLU 79 1 1 '82' . -1.262 75.104 68.818 1.00 40.71 605 611 C 'CB' GLU 79 1 1 '82' . -2.093 76.152 69.578 1.00 45.11 606 612 C 'CG' GLU 79 1 1 '82' . -3.377 75.467 70.166 1.00 50.40 607 613 C 'CD' GLU 79 1 1 '82' . -3.474 75.683 71.619 1.00 53.87 608 614 O 'OE1' GLU 79 1 1 '82' . -3.288 76.847 71.992 1.00 58.72 609 615 O 'OE2' GLU 79 1 1 '82' . -3.722 74.733 72.400 1.00 58.21 610 616 C 'C' GLU 79 1 1 '82' . -1.194 75.433 67.354 1.00 39.42 611 617 O 'O' GLU 79 1 1 '82' . -2.193 75.276 66.665 1.00 38.38 612 618 N 'N' MET 80 1 1 '83' . -0.017 75.865 66.878 1.00 36.74 613 619 C 'CA' MET 80 1 1 '83' . 0.157 76.140 65.463 1.00 34.66 614 620 C 'CB' MET 80 1 1 '83' . 1.539 76.727 65.203 1.00 35.11 615 621 C 'CG' MET 80 1 1 '83' . 2.661 75.695 65.356 1.00 35.90 616 622 S 'SD' MET 80 1 1 '83' . 4.306 76.451 65.161 1.00 38.47 617 623 C 'CE' MET 80 1 1 '83' . 4.530 76.277 63.367 1.00 37.29 618 624 C 'C' MET 80 1 1 '83' . 0.009 74.851 64.605 1.00 34.73 619 625 O 'O' MET 80 1 1 '83' . -0.041 74.959 63.386 1.00 33.11 620 626 N 'N' TRP 81 1 1 '84' . -0.043 73.659 65.245 1.00 33.39 621 627 C 'CA' TRP 81 1 1 '84' . -0.192 72.378 64.549 1.00 32.78 622 628 C 'CB' TRP 81 1 1 '84' . 0.779 71.317 65.115 1.00 31.50 623 629 C 'CG' TRP 81 1 1 '84' . 2.224 71.749 65.063 1.00 31.15 624 630 C 'CD2' TRP 81 1 1 '84' . 3.030 71.901 63.882 1.00 31.41 625 631 C 'CE2' TRP 81 1 1 '84' . 4.269 72.466 64.281 1.00 31.95 626 632 C 'CE3' TRP 81 1 1 '84' . 2.821 71.624 62.520 1.00 32.73 627 633 C 'CD1' TRP 81 1 1 '84' . 2.990 72.208 66.107 1.00 30.14 628 634 N 'NE1' TRP 81 1 1 '84' . 4.227 72.642 65.640 1.00 32.09 629 635 C 'CZ2' TRP 81 1 1 '84' . 5.300 72.761 63.357 1.00 34.22 630 636 C 'CZ3' TRP 81 1 1 '84' . 3.851 71.916 61.603 1.00 33.62 631 637 C 'CH2' TRP 81 1 1 '84' . 5.072 72.480 62.034 1.00 33.65 632 638 C 'C' TRP 81 1 1 '84' . -1.624 71.813 64.601 1.00 33.66 633 639 O 'O' TRP 81 1 1 '84' . -1.978 70.932 63.821 1.00 34.22 634 640 N 'N' ASN 82 1 1 '85' . -2.425 72.328 65.522 1.00 33.74 635 641 C 'CA' ASN 82 1 1 '85' . -3.801 71.892 65.727 1.00 34.69 636 642 C 'CB' ASN 82 1 1 '85' . -4.334 72.400 67.087 1.00 36.14 637 643 C 'CG' ASN 82 1 1 '85' . -3.993 71.472 68.267 1.00 37.60 638 644 O 'OD1' ASN 82 1 1 '85' . -3.833 70.239 68.119 1.00 37.17 639 645 N 'ND2' ASN 82 1 1 '85' . -3.917 72.068 69.460 1.00 36.84 640 646 C 'C' ASN 82 1 1 '85' . -4.723 72.452 64.655 1.00 33.83 641 647 O 'O' ASN 82 1 1 '85' . -4.420 73.442 64.021 1.00 33.60 642 648 N 'N' PRO 83 1 1 '86' . -5.848 71.793 64.429 1.00 33.03 643 649 C 'CD' PRO 83 1 1 '86' . -6.322 70.658 65.236 1.00 32.10 644 650 C 'CA' PRO 83 1 1 '86' . -6.837 72.234 63.434 1.00 33.86 645 651 C 'CB' PRO 83 1 1 '86' . -8.039 71.327 63.688 1.00 33.20 646 652 C 'CG' PRO 83 1 1 '86' . -7.466 70.127 64.423 1.00 33.36 647 653 C 'C' PRO 83 1 1 '86' . -7.215 73.702 63.797 1.00 35.51 648 654 O 'O' PRO 83 1 1 '86' . -7.425 74.000 64.983 1.00 32.63 649 655 N 'N' ASN 84 1 1 '87' . -7.283 74.595 62.806 1.00 34.23 650 656 C 'CA' ASN 84 1 1 '87' . -7.654 75.974 63.097 1.00 37.12 651 657 C 'CB' ASN 84 1 1 '87' . -6.606 76.960 62.587 1.00 34.25 652 658 C 'CG' ASN 84 1 1 '87' . -6.354 76.810 61.105 1.00 37.59 653 659 O 'OD1' ASN 84 1 1 '87' . -6.747 75.795 60.473 1.00 37.80 654 660 N 'ND2' ASN 84 1 1 '87' . -5.690 77.796 60.528 1.00 36.50 655 661 C 'C' ASN 84 1 1 '87' . -9.003 76.247 62.430 1.00 38.96 656 662 O 'O' ASN 84 1 1 '87' . -9.380 77.401 62.242 1.00 39.74 657 663 N 'N' ARG 85 1 1 '88' . -9.702 75.182 62.054 1.00 38.10 658 664 C 'CA' ARG 85 1 1 '88' . -11.050 75.308 61.477 1.00 40.07 659 665 C 'CB' ARG 85 1 1 '88' . -11.069 74.911 60.000 1.00 40.73 660 666 C 'CG' ARG 85 1 1 '88' . -10.240 75.812 59.168 1.00 45.24 661 667 C 'CD' ARG 85 1 1 '88' . -11.214 76.831 58.731 1.00 48.21 662 668 N 'NE' ARG 85 1 1 '88' . -10.797 78.144 59.130 1.00 51.13 663 669 C 'CZ' ARG 85 1 1 '88' . -11.430 79.230 58.729 1.00 52.71 664 670 N 'NH1' ARG 85 1 1 '88' . -12.517 79.114 57.947 1.00 52.34 665 671 N 'NH2' ARG 85 1 1 '88' . -10.905 80.410 59.011 1.00 51.94 666 672 C 'C' ARG 85 1 1 '88' . -11.842 74.263 62.210 1.00 39.51 667 673 O 'O' ARG 85 1 1 '88' . -11.274 73.455 62.897 1.00 38.35 668 674 N 'N' GLU 86 1 1 '89' . -13.146 74.250 62.021 1.00 40.86 669 675 C 'CA' GLU 86 1 1 '89' . -13.983 73.257 62.646 1.00 42.59 670 676 C 'CB' GLU 86 1 1 '89' . -15.443 73.604 62.368 1.00 47.39 671 677 C 'CG' GLU 86 1 1 '89' . -16.454 72.630 62.968 1.00 57.43 672 678 C 'CD' GLU 86 1 1 '89' . -17.907 72.849 62.435 1.00 63.07 673 679 O 'OE1' GLU 86 1 1 '89' . -18.698 71.853 62.418 1.00 64.01 674 680 O 'OE2' GLU 86 1 1 '89' . -18.244 74.014 62.038 1.00 65.57 675 681 C 'C' GLU 86 1 1 '89' . -13.619 71.903 62.012 1.00 40.49 676 682 O 'O' GLU 86 1 1 '89' . -13.245 71.824 60.843 1.00 39.83 677 683 N 'N' MET 87 1 1 '90' . -13.712 70.834 62.774 1.00 38.44 678 684 C 'CA' MET 87 1 1 '90' . -13.426 69.533 62.200 1.00 38.91 679 685 C 'CB' MET 87 1 1 '90' . -12.843 68.581 63.264 1.00 38.23 680 686 C 'CG' MET 87 1 1 '90' . -11.435 68.985 63.733 1.00 39.69 681 687 S 'SD' MET 87 1 1 '90' . -10.678 67.775 64.859 1.00 38.95 682 688 C 'CE' MET 87 1 1 '90' . -11.528 68.232 66.435 1.00 38.37 683 689 C 'C' MET 87 1 1 '90' . -14.708 68.935 61.651 1.00 38.97 684 690 O 'O' MET 87 1 1 '90' . -15.801 69.185 62.154 1.00 39.95 685 691 N 'N' SER 88 1 1 '91' . -14.571 68.114 60.631 1.00 39.47 686 692 C 'CA' SER 88 1 1 '91' . -15.728 67.438 60.056 1.00 37.46 687 693 C 'CB' SER 88 1 1 '91' . -16.503 68.403 59.152 1.00 37.44 688 694 O 'OG' SER 88 1 1 '91' . -17.558 67.713 58.511 1.00 36.61 689 695 C 'C' SER 88 1 1 '91' . -15.297 66.251 59.213 1.00 36.39 690 696 O 'O' SER 88 1 1 '91' . -14.235 66.308 58.566 1.00 36.44 691 697 N 'N' GLU 89 1 1 '92' . -16.088 65.180 59.174 1.00 35.01 692 698 C 'CA' GLU 89 1 1 '92' . -15.695 64.102 58.249 1.00 35.70 693 699 C 'CB' GLU 89 1 1 '92' . -16.589 62.884 58.402 1.00 37.71 694 700 C 'CG' GLU 89 1 1 '92' . -16.192 62.012 59.567 1.00 36.70 695 701 C 'CD' GLU 89 1 1 '92' . -17.011 60.741 59.639 1.00 37.97 696 702 O 'OE1' GLU 89 1 1 '92' . -18.120 60.801 60.188 1.00 39.35 697 703 O 'OE2' GLU 89 1 1 '92' . -16.550 59.689 59.138 1.00 38.14 698 704 C 'C' GLU 89 1 1 '92' . -15.789 64.629 56.803 1.00 36.60 699 705 O 'O' GLU 89 1 1 '92' . -15.171 64.065 55.869 1.00 35.91 700 706 N 'N' ASP 90 1 1 '93' . -16.558 65.714 56.618 1.00 35.46 701 707 C 'CA' ASP 90 1 1 '93' . -16.701 66.328 55.292 1.00 37.53 702 708 C 'CB' ASP 90 1 1 '93' . -18.031 67.128 55.177 1.00 37.75 703 709 C 'CG' ASP 90 1 1 '93' . -18.198 67.803 53.795 1.00 40.51 704 710 O 'OD1' ASP 90 1 1 '93' . -17.283 67.694 52.934 1.00 38.57 705 711 O 'OD2' ASP 90 1 1 '93' . -19.248 68.454 53.568 1.00 42.76 706 712 C 'C' ASP 90 1 1 '93' . -15.503 67.253 55.196 1.00 36.46 707 713 O 'O' ASP 90 1 1 '93' . -15.601 68.446 55.503 1.00 36.16 708 714 N 'N' CYS 91 1 1 '94' . -14.381 66.707 54.724 1.00 37.34 709 715 C 'CA' CYS 91 1 1 '94' . -13.139 67.479 54.707 1.00 36.43 710 716 C 'C' CYS 91 1 1 '94' . -12.277 67.288 53.492 1.00 37.41 711 717 O 'O' CYS 91 1 1 '94' . -11.102 67.724 53.491 1.00 36.25 712 718 C 'CB' CYS 91 1 1 '94' . -12.296 67.105 55.948 1.00 35.65 713 719 S 'SG' CYS 91 1 1 '94' . -11.800 65.330 55.975 1.00 33.93 714 720 N 'N' LEU 92 1 1 '95' . -12.805 66.642 52.458 1.00 35.62 715 721 C 'CA' LEU 92 1 1 '95' . -11.945 66.456 51.321 1.00 34.65 716 722 C 'CB' LEU 92 1 1 '95' . -12.258 65.128 50.637 1.00 33.94 717 723 C 'CG' LEU 92 1 1 '95' . -11.932 63.942 51.549 1.00 34.50 718 724 C 'CD1' LEU 92 1 1 '95' . -12.105 62.617 50.744 1.00 34.84 719 725 C 'CD2' LEU 92 1 1 '95' . -10.473 64.055 52.071 1.00 34.60 720 726 C 'C' LEU 92 1 1 '95' . -11.904 67.617 50.329 1.00 34.37 721 727 O 'O' LEU 92 1 1 '95' . -12.566 67.602 49.290 1.00 35.58 722 728 N 'N' TYR 93 1 1 '96' . -11.083 68.601 50.652 1.00 33.89 723 729 C 'CA' TYR 93 1 1 '96' . -10.912 69.794 49.832 1.00 35.64 724 730 C 'CB' TYR 93 1 1 '96' . -11.584 71.006 50.508 1.00 37.27 725 731 C 'CG' TYR 93 1 1 '96' . -13.047 70.776 50.807 1.00 38.22 726 732 C 'CD1' TYR 93 1 1 '96' . -13.425 70.029 51.940 1.00 36.82 727 733 C 'CE1' TYR 93 1 1 '96' . -14.737 69.706 52.176 1.00 36.96 728 734 C 'CD2' TYR 93 1 1 '96' . -14.050 71.209 49.906 1.00 35.33 729 735 C 'CE2' TYR 93 1 1 '96' . -15.391 70.892 50.130 1.00 35.53 730 736 C 'CZ' TYR 93 1 1 '96' . -15.732 70.139 51.267 1.00 38.23 731 737 O 'OH' TYR 93 1 1 '96' . -17.046 69.829 51.546 1.00 36.25 732 738 C 'C' TYR 93 1 1 '96' . -9.442 70.144 49.558 1.00 36.41 733 739 O 'O' TYR 93 1 1 '96' . -8.522 69.631 50.231 1.00 36.86 734 740 N 'N' LEU 94 1 1 '97' . -9.229 70.971 48.537 1.00 34.73 735 741 C 'CA' LEU 94 1 1 '97' . -7.905 71.439 48.209 1.00 35.16 736 742 C 'CB' LEU 94 1 1 '97' . -7.357 70.757 46.947 1.00 34.29 737 743 C 'CG' LEU 94 1 1 '97' . -8.057 70.741 45.583 1.00 35.30 738 744 C 'CD1' LEU 94 1 1 '97' . -7.897 72.092 44.904 1.00 34.53 739 745 C 'CD2' LEU 94 1 1 '97' . -7.435 69.675 44.700 1.00 36.34 740 746 C 'C' LEU 94 1 1 '97' . -7.912 72.965 48.096 1.00 34.55 741 747 O 'O' LEU 94 1 1 '97' . -8.953 73.581 47.885 1.00 35.08 742 748 N 'N' ASN 95 1 1 '98' . -6.738 73.559 48.255 1.00 34.09 743 749 C 'CA' ASN 95 1 1 '98' . -6.545 74.991 48.209 1.00 34.66 744 750 C 'CB' ASN 95 1 1 '98' . -6.039 75.497 49.580 1.00 34.69 745 751 C 'CG' ASN 95 1 1 '98' . -6.899 74.995 50.742 1.00 36.27 746 752 O 'OD1' ASN 95 1 1 '98' . -8.102 75.244 50.774 1.00 34.70 747 753 N 'ND2' ASN 95 1 1 '98' . -6.277 74.283 51.703 1.00 32.88 748 754 C 'C' ASN 95 1 1 '98' . -5.518 75.352 47.133 1.00 35.63 749 755 O 'O' ASN 95 1 1 '98' . -4.501 74.671 47.002 1.00 37.55 750 756 N 'N' ILE 96 1 1 '99' . -5.785 76.424 46.372 1.00 35.15 751 757 C 'CA' ILE 96 1 1 '99' . -4.883 76.886 45.330 1.00 34.58 752 758 C 'CB' ILE 96 1 1 '99' . -5.469 76.671 43.897 1.00 32.90 753 759 C 'CG2' ILE 96 1 1 '99' . -4.297 76.767 42.894 1.00 31.10 754 760 C 'CG1' ILE 96 1 1 '99' . -6.168 75.300 43.775 1.00 33.16 755 761 C 'CD1' ILE 96 1 1 '99' . -6.620 74.951 42.301 1.00 33.48 756 762 C 'C' ILE 96 1 1 '99' . -4.483 78.378 45.416 1.00 35.64 757 763 O 'O' ILE 96 1 1 '99' . -5.333 79.226 45.504 1.00 37.54 758 764 N 'N' TRP 97 1 1 '100' . -3.201 78.697 45.386 1.00 35.70 759 765 C 'CA' TRP 97 1 1 '100' . -2.784 80.092 45.404 1.00 37.00 760 766 C 'CB' TRP 97 1 1 '100' . -1.713 80.360 46.461 1.00 36.70 761 767 C 'CG' TRP 97 1 1 '100' . -2.280 80.486 47.830 1.00 37.63 762 768 C 'CD2' TRP 97 1 1 '100' . -2.469 79.436 48.764 1.00 37.77 763 769 C 'CE2' TRP 97 1 1 '100' . -2.954 80.017 49.960 1.00 38.21 764 770 C 'CE3' TRP 97 1 1 '100' . -2.265 78.050 48.719 1.00 38.57 765 771 C 'CD1' TRP 97 1 1 '100' . -2.666 81.636 48.465 1.00 39.41 766 772 N 'NE1' TRP 97 1 1 '100' . -3.068 81.360 49.745 1.00 38.96 767 773 C 'CZ2' TRP 97 1 1 '100' . -3.235 79.266 51.098 1.00 40.00 768 774 C 'CZ3' TRP 97 1 1 '100' . -2.544 77.292 49.867 1.00 38.12 769 775 C 'CH2' TRP 97 1 1 '100' . -3.022 77.905 51.037 1.00 37.67 770 776 C 'C' TRP 97 1 1 '100' . -2.204 80.304 44.017 1.00 38.06 771 777 O 'O' TRP 97 1 1 '100' . -1.288 79.581 43.596 1.00 36.60 772 778 N 'N' VAL 98 1 1 '101' . -2.737 81.301 43.317 1.00 37.99 773 779 C 'CA' VAL 98 1 1 '101' . -2.344 81.577 41.945 1.00 37.69 774 780 C 'CB' VAL 98 1 1 '101' . -3.610 81.413 41.021 1.00 37.01 775 781 C 'CG1' VAL 98 1 1 '101' . -3.311 81.803 39.566 1.00 34.83 776 782 C 'CG2' VAL 98 1 1 '101' . -4.153 80.008 41.122 1.00 35.54 777 783 C 'C' VAL 98 1 1 '101' . -1.762 82.990 41.770 1.00 38.69 778 784 O 'O' VAL 98 1 1 '101' . -2.389 83.979 42.163 1.00 36.89 779 785 N 'N' PRO 99 1 1 '102' . -0.543 83.093 41.201 1.00 39.75 780 786 C 'CD' PRO 99 1 1 '102' . 0.404 82.006 40.872 1.00 38.83 781 787 C 'CA' PRO 99 1 1 '102' . 0.053 84.429 40.983 1.00 40.55 782 788 C 'CB' PRO 99 1 1 '102' . 1.270 84.149 40.112 1.00 38.07 783 789 C 'CG' PRO 99 1 1 '102' . 1.712 82.749 40.593 1.00 38.59 784 790 C 'C' PRO 99 1 1 '102' . -0.950 85.365 40.243 1.00 42.39 785 791 O 'O' PRO 99 1 1 '102' . -1.896 84.909 39.554 1.00 42.63 786 792 N 'N' SER 100 1 1 '103' . -0.752 86.671 40.415 1.00 43.19 787 793 C 'CA' SER 100 1 1 '103' . -1.584 87.658 39.752 1.00 43.87 788 794 C 'CB' SER 100 1 1 '103' . -2.459 88.404 40.765 1.00 44.93 789 795 O 'OG' SER 100 1 1 '103' . -3.323 89.298 40.057 1.00 48.65 790 796 C 'C' SER 100 1 1 '103' . -0.666 88.631 39.028 1.00 42.71 791 797 O 'O' SER 100 1 1 '103' . 0.223 89.234 39.632 1.00 40.64 792 798 N 'N' PRO 101 1 1 '104' . -0.858 88.794 37.709 1.00 43.62 793 799 C 'CD' PRO 101 1 1 '104' . 0.119 89.600 36.929 1.00 42.27 794 800 C 'CA' PRO 101 1 1 '104' . -1.871 88.156 36.841 1.00 43.02 795 801 C 'CB' PRO 101 1 1 '104' . -1.684 88.894 35.504 1.00 43.67 796 802 C 'CG' PRO 101 1 1 '104' . -0.160 89.177 35.481 1.00 44.70 797 803 C 'C' PRO 101 1 1 '104' . -1.738 86.610 36.672 1.00 42.59 798 804 O 'O' PRO 101 1 1 '104' . -0.623 86.068 36.748 1.00 41.95 799 805 N 'N' ARG 102 1 1 '105' . -2.871 85.938 36.406 1.00 40.56 800 806 C 'CA' ARG 102 1 1 '105' . -2.940 84.479 36.216 1.00 41.10 801 807 C 'CB' ARG 102 1 1 '105' . -4.318 84.035 35.689 1.00 39.35 802 808 C 'CG' ARG 102 1 1 '105' . -4.505 82.506 35.774 1.00 38.76 803 809 C 'CD' ARG 102 1 1 '105' . -5.791 82.043 35.198 1.00 36.16 804 810 N 'NE' ARG 102 1 1 '105' . -6.934 82.634 35.901 1.00 39.86 805 811 C 'CZ' ARG 102 1 1 '105' . -8.164 82.598 35.403 1.00 40.40 806 812 N 'NH1' ARG 102 1 1 '105' . -8.345 82.000 34.237 1.00 40.41 807 813 N 'NH2' ARG 102 1 1 '105' . -9.192 83.183 36.008 1.00 39.34 808 814 C 'C' ARG 102 1 1 '105' . -1.888 83.996 35.237 1.00 41.78 809 815 O 'O' ARG 102 1 1 '105' . -1.845 84.477 34.121 1.00 43.18 810 816 N 'N' PRO 103 1 1 '106' . -1.014 83.052 35.644 1.00 41.99 811 817 C 'CD' PRO 103 1 1 '106' . -0.883 82.382 36.947 1.00 41.33 812 818 C 'CA' PRO 103 1 1 '106' . 0.019 82.560 34.712 1.00 40.94 813 819 C 'CB' PRO 103 1 1 '106' . 0.837 81.577 35.557 1.00 39.86 814 820 C 'CG' PRO 103 1 1 '106' . 0.581 82.002 36.935 1.00 41.02 815 821 C 'C' PRO 103 1 1 '106' . -0.688 81.814 33.597 1.00 40.72 816 822 O 'O' PRO 103 1 1 '106' . -1.878 81.499 33.706 1.00 41.37 817 823 N 'N' LYS 104 1 1 '107' . 0.046 81.522 32.537 1.00 40.95 818 824 C 'CA' LYS 104 1 1 '107' . -0.498 80.777 31.418 1.00 41.77 819 825 C 'CB' LYS 104 1 1 '107' . 0.171 81.222 30.102 1.00 42.78 820 826 C 'CG' LYS 104 1 1 '107' . 0.075 82.727 29.834 1.00 44.20 821 827 C 'CD' LYS 104 1 1 '107' . -1.410 83.110 30.000 1.00 47.54 822 828 C 'CE' LYS 104 1 1 '107' . -1.661 84.611 29.869 1.00 48.39 823 829 N 'NZ' LYS 104 1 1 '107' . -3.124 84.889 29.868 1.00 49.56 824 830 C 'C' LYS 104 1 1 '107' . -0.220 79.275 31.630 1.00 42.66 825 831 O 'O' LYS 104 1 1 '107' . -1.101 78.432 31.464 1.00 41.79 826 832 N 'N' SER 105 1 1 '108' . 1.012 78.942 31.989 1.00 42.23 827 833 C 'CA' SER 105 1 1 '108' . 1.363 77.535 32.137 1.00 44.05 828 834 C 'CB' SER 105 1 1 '108' . 1.630 76.923 30.770 1.00 44.14 829 835 O 'OG' SER 105 1 1 '108' . 1.743 75.517 30.864 1.00 46.38 830 836 C 'C' SER 105 1 1 '108' . 2.624 77.444 32.948 1.00 42.84 831 837 O 'O' SER 105 1 1 '108' . 3.694 77.199 32.388 1.00 43.95 832 838 N 'N' THR 106 1 1 '109' . 2.494 77.625 34.253 1.00 39.11 833 839 C 'CA' THR 106 1 1 '109' . 3.654 77.611 35.104 1.00 37.93 834 840 C 'CB' THR 106 1 1 '109' . 3.718 78.901 35.924 1.00 35.70 835 841 O 'OG1' THR 106 1 1 '109' . 5.020 78.992 36.498 1.00 38.40 836 842 C 'CG2' THR 106 1 1 '109' . 2.695 78.888 37.041 1.00 33.56 837 843 C 'C' THR 106 1 1 '109' . 3.806 76.409 36.079 1.00 38.03 838 844 O 'O' THR 106 1 1 '109' . 2.868 75.613 36.285 1.00 38.26 839 845 N 'N' THR 107 1 1 '110' . 4.992 76.319 36.680 1.00 37.11 840 846 C 'CA' THR 107 1 1 '110' . 5.330 75.282 37.646 1.00 36.47 841 847 C 'CB' THR 107 1 1 '110' . 6.691 75.560 38.284 1.00 38.14 842 848 O 'OG1' THR 107 1 1 '110' . 7.698 75.637 37.266 1.00 40.07 843 849 C 'CG2' THR 107 1 1 '110' . 7.046 74.442 39.278 1.00 36.02 844 850 C 'C' THR 107 1 1 '110' . 4.295 75.160 38.773 1.00 35.78 845 851 O 'O' THR 107 1 1 '110' . 3.893 76.148 39.391 1.00 36.14 846 852 N 'N' VAL 108 1 1 '111' . 3.871 73.936 39.037 1.00 36.04 847 853 C 'CA' VAL 108 1 1 '111' . 2.906 73.659 40.093 1.00 33.91 848 854 C 'CB' VAL 108 1 1 '111' . 1.763 72.786 39.523 1.00 34.32 849 855 C 'CG1' VAL 108 1 1 '111' . 0.763 72.449 40.662 1.00 31.14 850 856 C 'CG2' VAL 108 1 1 '111' . 1.074 73.498 38.297 1.00 29.32 851 857 C 'C' VAL 108 1 1 '111' . 3.592 72.882 41.262 1.00 34.50 852 858 O 'O' VAL 108 1 1 '111' . 4.404 71.983 41.014 1.00 35.22 853 859 N 'N' MET 109 1 1 '112' . 3.239 73.218 42.509 1.00 35.12 854 860 C 'CA' MET 109 1 1 '112' . 3.745 72.568 43.738 1.00 33.71 855 861 C 'CB' MET 109 1 1 '112' . 4.680 73.508 44.538 1.00 33.46 856 862 C 'CG' MET 109 1 1 '112' . 5.967 73.809 43.783 1.00 33.95 857 863 S 'SD' MET 109 1 1 '112' . 7.249 74.771 44.625 1.00 36.26 858 864 C 'CE' MET 109 1 1 '112' . 7.641 73.874 46.011 1.00 37.28 859 865 C 'C' MET 109 1 1 '112' . 2.530 72.168 44.581 1.00 34.23 860 866 O 'O' MET 109 1 1 '112' . 1.638 72.988 44.853 1.00 37.30 861 867 N 'N' VAL 110 1 1 '113' . 2.475 70.892 44.964 1.00 32.97 862 868 C 'CA' VAL 110 1 1 '113' . 1.372 70.360 45.734 1.00 30.96 863 869 C 'CB' VAL 110 1 1 '113' . 0.702 69.165 45.000 1.00 31.16 864 870 C 'CG1' VAL 110 1 1 '113' . -0.558 68.654 45.850 1.00 26.31 865 871 C 'CG2' VAL 110 1 1 '113' . 0.328 69.584 43.578 1.00 25.62 866 872 C 'C' VAL 110 1 1 '113' . 1.903 69.883 47.074 1.00 32.11 867 873 O 'O' VAL 110 1 1 '113' . 2.719 68.975 47.155 1.00 33.17 868 874 N 'N' TRP 111 1 1 '114' . 1.403 70.508 48.115 1.00 31.91 869 875 C 'CA' TRP 111 1 1 '114' . 1.806 70.244 49.473 1.00 30.85 870 876 C 'CB' TRP 111 1 1 '114' . 1.751 71.556 50.293 1.00 29.49 871 877 C 'CG' TRP 111 1 1 '114' . 2.010 71.356 51.774 1.00 30.23 872 878 C 'CD2' TRP 111 1 1 '114' . 3.268 71.080 52.380 1.00 29.33 873 879 C 'CE2' TRP 111 1 1 '114' . 3.057 71.029 53.788 1.00 30.89 874 880 C 'CE3' TRP 111 1 1 '114' . 4.565 70.875 51.874 1.00 28.72 875 881 C 'CD1' TRP 111 1 1 '114' . 1.097 71.448 52.813 1.00 31.61 876 882 N 'NE1' TRP 111 1 1 '114' . 1.723 71.254 54.023 1.00 31.25 877 883 C 'CZ2' TRP 111 1 1 '114' . 4.095 70.785 54.686 1.00 29.43 878 884 C 'CZ3' TRP 111 1 1 '114' . 5.592 70.632 52.770 1.00 28.38 879 885 C 'CH2' TRP 111 1 1 '114' . 5.357 70.592 54.156 1.00 28.36 880 886 C 'C' TRP 111 1 1 '114' . 0.925 69.184 50.120 1.00 30.61 881 887 O 'O' TRP 111 1 1 '114' . -0.321 69.227 50.029 1.00 30.11 882 888 N 'N' ILE 112 1 1 '115' . 1.590 68.236 50.778 1.00 29.88 883 889 C 'CA' ILE 112 1 1 '115' . 0.912 67.157 51.488 1.00 29.32 884 890 C 'CB' ILE 112 1 1 '115' . 1.314 65.786 50.934 1.00 28.87 885 891 C 'CG2' ILE 112 1 1 '115' . 0.563 64.669 51.713 1.00 28.15 886 892 C 'CG1' ILE 112 1 1 '115' . 0.987 65.738 49.440 1.00 30.24 887 893 C 'CD1' ILE 112 1 1 '115' . 1.197 64.330 48.780 1.00 32.00 888 894 C 'C' ILE 112 1 1 '115' . 1.310 67.264 52.950 1.00 29.77 889 895 O 'O' ILE 112 1 1 '115' . 2.474 66.999 53.313 1.00 29.54 890 896 N 'N' TYR 113 1 1 '116' . 0.365 67.662 53.803 1.00 29.88 891 897 C 'CA' TYR 113 1 1 '116' . 0.714 67.814 55.216 1.00 30.09 892 898 C 'CB' TYR 113 1 1 '116' . -0.405 68.541 56.005 1.00 29.82 893 899 C 'CG' TYR 113 1 1 '116' . -1.782 67.879 56.030 1.00 29.46 894 900 C 'CD1' TYR 113 1 1 '116' . -2.021 66.673 56.728 1.00 29.10 895 901 C 'CE1' TYR 113 1 1 '116' . -3.308 66.088 56.767 1.00 27.09 896 902 C 'CD2' TYR 113 1 1 '116' . -2.856 68.478 55.381 1.00 29.91 897 903 C 'CE2' TYR 113 1 1 '116' . -4.149 67.911 55.404 1.00 26.53 898 904 C 'CZ' TYR 113 1 1 '116' . -4.373 66.723 56.081 1.00 29.75 899 905 O 'OH' TYR 113 1 1 '116' . -5.643 66.144 55.982 1.00 29.49 900 906 C 'C' TYR 113 1 1 '116' . 1.091 66.518 55.947 1.00 30.28 901 907 O 'O' TYR 113 1 1 '116' . 0.680 65.415 55.563 1.00 29.22 902 908 N 'N' GLY 114 1 1 '117' . 1.914 66.682 56.986 1.00 31.17 903 909 C 'CA' GLY 114 1 1 '117' . 2.277 65.571 57.858 1.00 30.96 904 910 C 'C' GLY 114 1 1 '117' . 1.381 65.574 59.094 1.00 33.02 905 911 O 'O' GLY 114 1 1 '117' . 0.320 66.250 59.134 1.00 34.67 906 912 N 'N' GLY 115 1 1 '118' . 1.814 64.862 60.131 1.00 32.86 907 913 C 'CA' GLY 115 1 1 '118' . 1.026 64.738 61.345 1.00 29.97 908 914 C 'C' GLY 115 1 1 '118' . 0.874 63.242 61.708 1.00 30.82 909 915 O 'O' GLY 115 1 1 '118' . -0.158 62.846 62.216 1.00 30.72 910 916 N 'N' GLY 116 1 1 '119' . 1.908 62.426 61.449 1.00 29.63 911 917 C 'CA' GLY 116 1 1 '119' . 1.873 61.003 61.779 1.00 30.57 912 918 C 'C' GLY 116 1 1 '119' . 0.695 60.166 61.256 1.00 30.86 913 919 O 'O' GLY 116 1 1 '119' . 0.441 59.078 61.751 1.00 31.19 914 920 N 'N' PHE 117 1 1 '120' . 0.022 60.655 60.220 1.00 31.13 915 921 C 'CA' PHE 117 1 1 '120' . -1.166 60.007 59.634 1.00 31.15 916 922 C 'CB' PHE 117 1 1 '120' . -0.900 58.562 59.142 1.00 27.52 917 923 C 'CG' PHE 117 1 1 '120' . 0.094 58.472 58.015 1.00 26.24 918 924 C 'CD1' PHE 117 1 1 '120' . -0.231 58.874 56.745 1.00 25.03 919 925 C 'CD2' PHE 117 1 1 '120' . 1.370 57.949 58.245 1.00 26.28 920 926 C 'CE1' PHE 117 1 1 '120' . 0.683 58.761 55.701 1.00 26.22 921 927 C 'CE2' PHE 117 1 1 '120' . 2.301 57.824 57.223 1.00 26.04 922 928 C 'CZ' PHE 117 1 1 '120' . 1.955 58.233 55.929 1.00 27.35 923 929 C 'C' PHE 117 1 1 '120' . -2.381 59.999 60.584 1.00 31.09 924 930 O 'O' PHE 117 1 1 '120' . -3.405 59.379 60.265 1.00 32.40 925 931 N 'N' TYR 118 1 1 '121' . -2.297 60.666 61.736 1.00 29.94 926 932 C 'CA' TYR 118 1 1 '121' . -3.469 60.706 62.627 1.00 29.65 927 933 C 'CB' TYR 118 1 1 '121' . -3.156 60.138 64.036 1.00 30.24 928 934 C 'CG' TYR 118 1 1 '121' . -2.336 61.063 64.916 1.00 29.94 929 935 C 'CD1' TYR 118 1 1 '121' . -2.953 62.047 65.693 1.00 29.97 930 936 C 'CE1' TYR 118 1 1 '121' . -2.199 63.014 66.397 1.00 29.87 931 937 C 'CD2' TYR 118 1 1 '121' . -0.931 61.046 64.869 1.00 29.75 932 938 C 'CE2' TYR 118 1 1 '121' . -0.172 61.996 65.577 1.00 31.22 933 939 C 'CZ' TYR 118 1 1 '121' . -0.816 62.974 66.336 1.00 31.18 934 940 O 'OH' TYR 118 1 1 '121' . -0.076 63.896 67.060 1.00 35.91 935 941 C 'C' TYR 118 1 1 '121' . -3.995 62.144 62.802 1.00 31.24 936 942 O 'O' TYR 118 1 1 '121' . -5.001 62.371 63.504 1.00 29.97 937 943 N 'N' SER 119 1 1 '122' . -3.292 63.112 62.216 1.00 30.60 938 944 C 'CA' SER 119 1 1 '122' . -3.673 64.505 62.353 1.00 31.10 939 945 C 'CB' SER 119 1 1 '122' . -3.140 65.071 63.682 1.00 31.84 940 946 O 'OG' SER 119 1 1 '122' . -1.738 65.023 63.695 1.00 33.09 941 947 C 'C' SER 119 1 1 '122' . -3.092 65.270 61.172 1.00 31.74 942 948 O 'O' SER 119 1 1 '122' . -2.476 64.647 60.290 1.00 30.09 943 949 N 'N' GLY 120 1 1 '123' . -3.277 66.603 61.183 1.00 30.82 944 950 C 'CA' GLY 120 1 1 '123' . -2.827 67.443 60.084 1.00 30.92 945 951 C 'C' GLY 120 1 1 '123' . -3.998 68.189 59.416 1.00 31.90 946 952 O 'O' GLY 120 1 1 '123' . -5.127 67.718 59.389 1.00 30.40 947 953 N 'N' SER 121 1 1 '124' . -3.702 69.366 58.897 1.00 31.14 948 954 C 'CA' SER 121 1 1 '124' . -4.674 70.243 58.264 1.00 33.45 949 955 C 'CB' SER 121 1 1 '124' . -5.223 71.294 59.257 1.00 32.58 950 956 O 'OG' SER 121 1 1 '124' . -5.809 70.673 60.381 1.00 35.97 951 957 C 'C' SER 121 1 1 '124' . -3.956 71.001 57.175 1.00 33.88 952 958 O 'O' SER 121 1 1 '124' . -2.798 71.361 57.327 1.00 33.99 953 959 N 'N' SER 122 1 1 '125' . -4.650 71.266 56.083 1.00 34.68 954 960 C 'CA' SER 122 1 1 '125' . -4.048 72.000 54.987 1.00 36.11 955 961 C 'CB' SER 122 1 1 '125' . -4.778 71.667 53.697 1.00 35.45 956 962 O 'OG' SER 122 1 1 '125' . -6.106 72.146 53.791 1.00 38.08 957 963 C 'C' SER 122 1 1 '125' . -4.161 73.514 55.185 1.00 36.55 958 964 O 'O' SER 122 1 1 '125' . -3.563 74.269 54.429 1.00 38.98 959 965 N 'N' THR 123 1 1 '126' . -4.871 73.923 56.230 1.00 36.54 960 966 C 'CA' THR 123 1 1 '126' . -5.214 75.322 56.502 1.00 36.71 961 967 C 'CB' THR 123 1 1 '126' . -6.673 75.378 56.946 1.00 36.10 962 968 O 'OG1' THR 123 1 1 '126' . -6.791 74.686 58.188 1.00 33.86 963 969 C 'CG2' THR 123 1 1 '126' . -7.583 74.657 55.934 1.00 35.89 964 970 C 'C' THR 123 1 1 '126' . -4.404 76.043 57.541 1.00 37.08 965 971 O 'O' THR 123 1 1 '126' . -4.676 77.184 57.852 1.00 37.54 966 972 N 'N' LEU 124 1 1 '127' . -3.420 75.370 58.107 1.00 37.58 967 973 C 'CA' LEU 124 1 1 '127' . -2.579 75.996 59.114 1.00 37.56 968 974 C 'CB' LEU 124 1 1 '127' . -1.542 75.000 59.627 1.00 35.09 969 975 C 'CG' LEU 124 1 1 '127' . -2.051 73.631 60.103 1.00 34.24 970 976 C 'CD1' LEU 124 1 1 '127' . -0.835 72.754 60.538 1.00 27.48 971 977 C 'CD2' LEU 124 1 1 '127' . -3.059 73.829 61.209 1.00 31.65 972 978 C 'C' LEU 124 1 1 '127' . -1.824 77.221 58.615 1.00 37.81 973 979 O 'O' LEU 124 1 1 '127' . -1.368 77.257 57.464 1.00 36.64 974 980 N 'N' ASP 125 1 1 '128' . -1.622 78.195 59.498 1.00 38.28 975 981 C 'CA' ASP 125 1 1 '128' . -0.857 79.385 59.099 1.00 38.19 976 982 C 'CB' ASP 125 1 1 '128' . -0.754 80.411 60.264 1.00 39.62 977 983 C 'CG' ASP 125 1 1 '128' . -2.147 80.894 60.781 1.00 43.88 978 984 O 'OD1' ASP 125 1 1 '128' . -3.156 80.919 60.017 1.00 43.95 979 985 O 'OD2' ASP 125 1 1 '128' . -2.227 81.234 61.990 1.00 48.73 980 986 C 'C' ASP 125 1 1 '128' . 0.557 79.031 58.554 1.00 37.79 981 987 O 'O' ASP 125 1 1 '128' . 1.013 79.682 57.603 1.00 36.36 982 988 N 'N' VAL 126 1 1 '129' . 1.269 78.034 59.121 1.00 37.34 983 989 C 'CA' VAL 126 1 1 '129' . 2.604 77.735 58.560 1.00 37.09 984 990 C 'CB' VAL 126 1 1 '129' . 3.485 76.658 59.328 1.00 37.18 985 991 C 'CG1' VAL 126 1 1 '129' . 4.448 77.303 60.245 1.00 36.14 986 992 C 'CG2' VAL 126 1 1 '129' . 2.638 75.643 59.947 1.00 33.16 987 993 C 'C' VAL 126 1 1 '129' . 2.501 77.153 57.145 1.00 37.82 988 994 O 'O' VAL 126 1 1 '129' . 3.528 77.058 56.462 1.00 37.63 989 995 N 'N' TYR 127 1 1 '130' . 1.306 76.705 56.728 1.00 37.39 990 996 C 'CA' TYR 127 1 1 '130' . 1.151 76.163 55.373 1.00 37.96 991 997 C 'CB' TYR 127 1 1 '130' . 0.275 74.904 55.351 1.00 34.87 992 998 C 'CG' TYR 127 1 1 '130' . 0.767 73.750 56.196 1.00 33.84 993 999 C 'CD1' TYR 127 1 1 '130' . 2.126 73.599 56.508 1.00 32.29 994 1000 C 'CE1' TYR 127 1 1 '130' . 2.562 72.561 57.345 1.00 32.23 995 1001 C 'CD2' TYR 127 1 1 '130' . -0.146 72.822 56.729 1.00 32.56 996 1002 C 'CE2' TYR 127 1 1 '130' . 0.272 71.789 57.557 1.00 30.80 997 1003 C 'CZ' TYR 127 1 1 '130' . 1.614 71.663 57.866 1.00 31.71 998 1004 O 'OH' TYR 127 1 1 '130' . 2.008 70.645 58.677 1.00 29.76 999 1005 C 'C' TYR 127 1 1 '130' . 0.532 77.182 54.397 1.00 39.14 1000 1006 O 'O' TYR 127 1 1 '130' . 0.164 76.811 53.286 1.00 38.40 1001 1007 N 'N' ASN 128 1 1 '131' . 0.391 78.446 54.812 1.00 40.21 1002 1008 C 'CA' ASN 128 1 1 '131' . -0.197 79.477 53.924 1.00 39.63 1003 1009 C 'CB' ASN 128 1 1 '131' . -0.225 80.829 54.639 1.00 40.57 1004 1010 C 'CG' ASN 128 1 1 '131' . -1.147 81.839 53.945 1.00 43.27 1005 1011 O 'OD1' ASN 128 1 1 '131' . -1.204 81.915 52.709 1.00 42.02 1006 1012 N 'ND2' ASN 128 1 1 '131' . -1.864 82.634 54.753 1.00 44.99 1007 1013 C 'C' ASN 128 1 1 '131' . 0.655 79.582 52.653 1.00 37.75 1008 1014 O 'O' ASN 128 1 1 '131' . 1.803 80.041 52.708 1.00 36.35 1009 1015 N 'N' GLY 129 1 1 '132' . 0.096 79.177 51.507 1.00 38.29 1010 1016 C 'CA' GLY 129 1 1 '132' . 0.907 79.178 50.285 1.00 37.38 1011 1017 C 'C' GLY 129 1 1 '132' . 1.109 80.473 49.498 1.00 38.07 1012 1018 O 'O' GLY 129 1 1 '132' . 1.796 80.484 48.453 1.00 37.52 1013 1019 N 'N' LYS 130 1 1 '133' . 0.572 81.579 50.014 1.00 38.57 1014 1020 C 'CA' LYS 130 1 1 '133' . 0.639 82.843 49.289 1.00 37.57 1015 1021 C 'CB' LYS 130 1 1 '133' . -0.302 83.878 49.941 1.00 38.48 1016 1022 C 'CG' LYS 130 1 1 '133' . 0.285 84.612 51.169 1.00 38.88 1017 1023 C 'CD' LYS 130 1 1 '133' . -0.814 85.293 51.969 1.00 39.05 1018 1024 C 'CE' LYS 130 1 1 '133' . -0.219 86.335 52.936 1.00 40.05 1019 1025 N 'NZ' LYS 130 1 1 '133' . -1.358 86.974 53.656 1.00 43.55 1020 1026 C 'C' LYS 130 1 1 '133' . 2.061 83.368 49.147 1.00 38.21 1021 1027 O 'O' LYS 130 1 1 '133' . 2.407 83.874 48.063 1.00 36.70 1022 1028 N 'N' TYR 131 1 1 '134' . 2.902 83.197 50.178 1.00 37.38 1023 1029 C 'CA' TYR 131 1 1 '134' . 4.270 83.715 50.099 1.00 38.06 1024 1030 C 'CB' TYR 131 1 1 '134' . 5.003 83.625 51.457 1.00 38.47 1025 1031 C 'CG' TYR 131 1 1 '134' . 4.244 84.258 52.587 1.00 39.89 1026 1032 C 'CD1' TYR 131 1 1 '134' . 3.624 83.468 53.547 1.00 39.05 1027 1033 C 'CE1' TYR 131 1 1 '134' . 2.830 84.018 54.549 1.00 38.10 1028 1034 C 'CD2' TYR 131 1 1 '134' . 4.057 85.657 52.653 1.00 40.79 1029 1035 C 'CE2' TYR 131 1 1 '134' . 3.252 86.235 53.673 1.00 38.06 1030 1036 C 'CZ' TYR 131 1 1 '134' . 2.645 85.395 54.615 1.00 40.91 1031 1037 O 'OH' TYR 131 1 1 '134' . 1.858 85.897 55.644 1.00 42.62 1032 1038 C 'C' TYR 131 1 1 '134' . 5.075 82.994 49.032 1.00 39.10 1033 1039 O 'O' TYR 131 1 1 '134' . 5.761 83.617 48.234 1.00 40.30 1034 1040 N 'N' LEU 132 1 1 '135' . 4.975 81.678 48.989 1.00 38.73 1035 1041 C 'CA' LEU 132 1 1 '135' . 5.730 80.915 47.999 1.00 39.02 1036 1042 C 'CB' LEU 132 1 1 '135' . 5.681 79.420 48.375 1.00 38.41 1037 1043 C 'CG' LEU 132 1 1 '135' . 6.446 78.334 47.656 1.00 38.30 1038 1044 C 'CD1' LEU 132 1 1 '135' . 7.917 78.727 47.467 1.00 36.41 1039 1045 C 'CD2' LEU 132 1 1 '135' . 6.309 77.046 48.526 1.00 36.58 1040 1046 C 'C' LEU 132 1 1 '135' . 5.146 81.161 46.601 1.00 40.57 1041 1047 O 'O' LEU 132 1 1 '135' . 5.896 81.409 45.651 1.00 41.77 1042 1048 N 'N' ALA 133 1 1 '136' . 3.818 81.097 46.453 1.00 41.38 1043 1049 C 'CA' ALA 133 1 1 '136' . 3.220 81.319 45.126 1.00 42.15 1044 1050 C 'CB' ALA 133 1 1 '136' . 1.668 81.263 45.212 1.00 39.44 1045 1051 C 'C' ALA 133 1 1 '136' . 3.674 82.682 44.579 1.00 43.01 1046 1052 O 'O' ALA 133 1 1 '136' . 4.124 82.821 43.419 1.00 43.53 1047 1053 N 'N' TYR 134 1 1 '137' . 3.573 83.688 45.440 1.00 43.16 1048 1054 C 'CA' TYR 134 1 1 '137' . 3.938 85.026 45.063 1.00 43.00 1049 1055 C 'CB' TYR 134 1 1 '137' . 3.482 86.009 46.133 1.00 43.32 1050 1056 C 'CG' TYR 134 1 1 '137' . 3.975 87.397 45.904 1.00 45.42 1051 1057 C 'CD1' TYR 134 1 1 '137' . 4.977 87.945 46.707 1.00 47.77 1052 1058 C 'CE1' TYR 134 1 1 '137' . 5.438 89.252 46.505 1.00 48.39 1053 1059 C 'CD2' TYR 134 1 1 '137' . 3.441 88.179 44.890 1.00 47.88 1054 1060 C 'CE2' TYR 134 1 1 '137' . 3.888 89.483 44.673 1.00 49.21 1055 1061 C 'CZ' TYR 134 1 1 '137' . 4.887 90.010 45.487 1.00 49.36 1056 1062 O 'OH' TYR 134 1 1 '137' . 5.323 91.284 45.261 1.00 50.38 1057 1063 C 'C' TYR 134 1 1 '137' . 5.411 85.205 44.787 1.00 42.46 1058 1064 O 'O' TYR 134 1 1 '137' . 5.787 85.631 43.696 1.00 41.52 1059 1065 N 'N' THR 135 1 1 '138' . 6.254 84.861 45.747 1.00 42.29 1060 1066 C 'CA' THR 135 1 1 '138' . 7.697 85.080 45.558 1.00 42.41 1061 1067 C 'CB' THR 135 1 1 '138' . 8.539 84.784 46.840 1.00 41.26 1062 1068 O 'OG1' THR 135 1 1 '138' . 7.965 85.453 47.957 1.00 39.21 1063 1069 C 'CG2' THR 135 1 1 '138' . 9.933 85.299 46.667 1.00 40.61 1064 1070 C 'C' THR 135 1 1 '138' . 8.307 84.288 44.431 1.00 41.87 1065 1071 O 'O' THR 135 1 1 '138' . 9.184 84.792 43.750 1.00 42.45 1066 1072 N 'N' GLU 136 1 1 '139' . 7.843 83.060 44.208 1.00 40.36 1067 1073 C 'CA' GLU 136 1 1 '139' . 8.453 82.252 43.147 1.00 40.34 1068 1074 C 'CB' GLU 136 1 1 '139' . 8.858 80.874 43.698 1.00 39.73 1069 1075 C 'CG' GLU 136 1 1 '139' . 9.935 80.912 44.795 1.00 38.00 1070 1076 C 'CD' GLU 136 1 1 '139' . 11.272 81.382 44.313 1.00 38.17 1071 1077 O 'OE1' GLU 136 1 1 '139' . 11.690 81.014 43.189 1.00 37.27 1072 1078 O 'OE2' GLU 136 1 1 '139' . 11.945 82.096 45.084 1.00 39.11 1073 1079 C 'C' GLU 136 1 1 '139' . 7.634 82.080 41.861 1.00 40.34 1074 1080 O 'O' GLU 136 1 1 '139' . 8.106 81.437 40.923 1.00 39.01 1075 1081 N 'N' GLU 137 1 1 '140' . 6.427 82.648 41.831 1.00 41.78 1076 1082 C 'CA' GLU 137 1 1 '140' . 5.547 82.582 40.658 1.00 44.81 1077 1083 C 'CB' GLU 137 1 1 '140' . 6.224 83.210 39.419 1.00 50.43 1078 1084 C 'CG' GLU 137 1 1 '140' . 5.556 84.470 38.815 1.00 58.79 1079 1085 C 'CD' GLU 137 1 1 '140' . 6.530 85.696 38.781 1.00 64.32 1080 1086 O 'OE1' GLU 137 1 1 '140' . 7.749 85.534 38.441 1.00 64.53 1081 1087 O 'OE2' GLU 137 1 1 '140' . 6.066 86.830 39.094 1.00 67.54 1082 1088 C 'C' GLU 137 1 1 '140' . 5.170 81.150 40.335 1.00 42.24 1083 1089 O 'O' GLU 137 1 1 '140' . 5.249 80.712 39.172 1.00 41.47 1084 1090 N 'N' VAL 138 1 1 '141' . 4.779 80.407 41.365 1.00 40.24 1085 1091 C 'CA' VAL 138 1 1 '141' . 4.357 79.053 41.130 1.00 38.47 1086 1092 C 'CB' VAL 138 1 1 '141' . 5.196 78.018 41.973 1.00 39.75 1087 1093 C 'CG1' VAL 138 1 1 '141' . 6.729 78.154 41.637 1.00 39.32 1088 1094 C 'CG2' VAL 138 1 1 '141' . 4.956 78.218 43.448 1.00 38.68 1089 1095 C 'C' VAL 138 1 1 '141' . 2.905 79.008 41.545 1.00 37.84 1090 1096 O 'O' VAL 138 1 1 '141' . 2.476 79.872 42.302 1.00 35.08 1091 1097 N 'N' VAL 139 1 1 '142' . 2.149 78.043 40.992 1.00 37.19 1092 1098 C 'CA' VAL 139 1 1 '142' . 0.772 77.809 41.400 1.00 36.36 1093 1099 C 'CB' VAL 139 1 1 '142' . -0.098 77.212 40.259 1.00 37.10 1094 1100 C 'CG1' VAL 139 1 1 '142' . -1.391 76.640 40.814 1.00 33.90 1095 1101 C 'CG2' VAL 139 1 1 '142' . -0.411 78.307 39.225 1.00 35.38 1096 1102 C 'C' VAL 139 1 1 '142' . 0.958 76.778 42.539 1.00 37.35 1097 1103 O 'O' VAL 139 1 1 '142' . 1.466 75.660 42.325 1.00 36.57 1098 1104 N 'N' LEU 140 1 1 '143' . 0.590 77.190 43.754 1.00 36.65 1099 1105 C 'CA' LEU 140 1 1 '143' . 0.744 76.361 44.928 1.00 36.05 1100 1106 C 'CB' LEU 140 1 1 '143' . 1.305 77.172 46.096 1.00 37.87 1101 1107 C 'CG' LEU 140 1 1 '143' . 1.664 76.130 47.156 1.00 41.20 1102 1108 C 'CD1' LEU 140 1 1 '143' . 3.165 75.872 47.143 1.00 41.19 1103 1109 C 'CD2' LEU 140 1 1 '143' . 1.210 76.556 48.478 1.00 41.42 1104 1110 C 'C' LEU 140 1 1 '143' . -0.539 75.696 45.378 1.00 35.27 1105 1111 O 'O' LEU 140 1 1 '143' . -1.532 76.365 45.695 1.00 36.22 1106 1112 N 'N' VAL 141 1 1 '144' . -0.518 74.371 45.426 1.00 33.16 1107 1113 C 'CA' VAL 141 1 1 '144' . -1.699 73.639 45.853 1.00 31.94 1108 1114 C 'CB' VAL 141 1 1 '144' . -2.103 72.505 44.820 1.00 30.72 1109 1115 C 'CG1' VAL 141 1 1 '144' . -3.338 71.754 45.334 1.00 30.25 1110 1116 C 'CG2' VAL 141 1 1 '144' . -2.395 73.077 43.433 1.00 30.56 1111 1117 C 'C' VAL 141 1 1 '144' . -1.442 72.916 47.185 1.00 31.07 1112 1118 O 'O' VAL 141 1 1 '144' . -0.345 72.337 47.382 1.00 30.23 1113 1119 N 'N' SER 142 1 1 '145' . -2.418 72.962 48.086 1.00 30.52 1114 1120 C 'CA' SER 142 1 1 '145' . -2.337 72.133 49.297 1.00 31.50 1115 1121 C 'CB' SER 142 1 1 '145' . -2.256 72.931 50.608 1.00 32.44 1116 1122 O 'OG' SER 142 1 1 '145' . -3.271 73.919 50.713 1.00 35.27 1117 1123 C 'C' SER 142 1 1 '145' . -3.590 71.273 49.300 1.00 32.14 1118 1124 O 'O' SER 142 1 1 '145' . -4.723 71.772 49.174 1.00 31.01 1119 1125 N 'N' LEU 143 1 1 '146' . -3.405 69.962 49.412 1.00 32.37 1120 1126 C 'CA' LEU 143 1 1 '146' . -4.552 69.068 49.468 1.00 31.31 1121 1127 C 'CB' LEU 143 1 1 '146' . -4.288 67.858 48.565 1.00 30.89 1122 1128 C 'CG' LEU 143 1 1 '146' . -2.963 67.108 48.804 1.00 29.81 1123 1129 C 'CD1' LEU 143 1 1 '146' . -3.084 66.317 50.112 1.00 28.70 1124 1130 C 'CD2' LEU 143 1 1 '146' . -2.636 66.191 47.640 1.00 27.84 1125 1131 C 'C' LEU 143 1 1 '146' . -4.823 68.613 50.930 1.00 32.32 1126 1132 O 'O' LEU 143 1 1 '146' . -4.125 68.992 51.853 1.00 33.58 1127 1133 N 'N' SER 144 1 1 '147' . -5.842 67.796 51.130 1.00 31.81 1128 1134 C 'CA' SER 144 1 1 '147' . -6.126 67.245 52.448 1.00 33.51 1129 1135 C 'CB' SER 144 1 1 '147' . -7.338 67.896 53.090 1.00 32.66 1130 1136 O 'OG' SER 144 1 1 '147' . -8.447 67.775 52.210 1.00 37.96 1131 1137 C 'C' SER 144 1 1 '147' . -6.417 65.785 52.204 1.00 33.01 1132 1138 O 'O' SER 144 1 1 '147' . -6.562 65.338 51.046 1.00 34.73 1133 1139 N 'N' TYR 145 1 1 '148' . -6.492 65.033 53.284 1.00 32.10 1134 1140 C 'CA' TYR 145 1 1 '148' . -6.779 63.613 53.219 1.00 30.11 1135 1141 C 'CB' TYR 145 1 1 '148' . -5.560 62.806 52.723 1.00 28.91 1136 1142 C 'CG' TYR 145 1 1 '148' . -4.275 62.930 53.554 1.00 28.65 1137 1143 C 'CD1' TYR 145 1 1 '148' . -3.433 64.035 53.415 1.00 27.03 1138 1144 C 'CE1' TYR 145 1 1 '148' . -2.276 64.184 54.205 1.00 27.61 1139 1145 C 'CD2' TYR 145 1 1 '148' . -3.932 61.945 54.503 1.00 27.81 1140 1146 C 'CE2' TYR 145 1 1 '148' . -2.769 62.071 55.316 1.00 27.24 1141 1147 C 'CZ' TYR 145 1 1 '148' . -1.953 63.196 55.170 1.00 29.22 1142 1148 O 'OH' TYR 145 1 1 '148' . -0.861 63.368 56.026 1.00 28.87 1143 1149 C 'C' TYR 145 1 1 '148' . -7.185 63.169 54.624 1.00 31.88 1144 1150 O 'O' TYR 145 1 1 '148' . -6.762 63.788 55.655 1.00 31.36 1145 1151 N 'N' ARG 146 1 1 '149' . -8.011 62.123 54.659 1.00 30.63 1146 1152 C 'CA' ARG 146 1 1 '149' . -8.489 61.565 55.916 1.00 31.70 1147 1153 C 'CB' ARG 146 1 1 '149' . -9.528 60.467 55.650 1.00 30.91 1148 1154 C 'CG' ARG 146 1 1 '149' . -10.944 61.003 55.268 1.00 29.38 1149 1155 C 'CD' ARG 146 1 1 '149' . -11.836 59.828 54.822 1.00 31.41 1150 1156 N 'NE' ARG 146 1 1 '149' . -11.486 59.395 53.458 1.00 30.70 1151 1157 C 'CZ' ARG 146 1 1 '149' . -12.033 58.346 52.849 1.00 32.31 1152 1158 N 'NH1' ARG 146 1 1 '149' . -12.946 57.606 53.500 1.00 31.49 1153 1159 N 'NH2' ARG 146 1 1 '149' . -11.719 58.062 51.577 1.00 29.54 1154 1160 C 'C' ARG 146 1 1 '149' . -7.314 60.979 56.702 1.00 31.06 1155 1161 O 'O' ARG 146 1 1 '149' . -6.428 60.354 56.118 1.00 31.93 1156 1162 N 'N' VAL 147 1 1 '150' . -7.311 61.207 58.011 1.00 29.20 1157 1163 C 'CA' VAL 147 1 1 '150' . -6.279 60.679 58.885 1.00 27.94 1158 1164 C 'CB' VAL 147 1 1 '150' . -5.468 61.868 59.542 1.00 27.68 1159 1165 C 'CG1' VAL 147 1 1 '150' . -4.680 62.653 58.421 1.00 24.73 1160 1166 C 'CG2' VAL 147 1 1 '150' . -6.418 62.809 60.290 1.00 23.71 1161 1167 C 'C' VAL 147 1 1 '150' . -6.954 59.819 59.965 1.00 30.30 1162 1168 O 'O' VAL 147 1 1 '150' . -8.197 59.674 59.989 1.00 30.06 1163 1169 N 'N' GLY 148 1 1 '151' . -6.144 59.252 60.875 1.00 31.84 1164 1170 C 'CA' GLY 148 1 1 '151' . -6.670 58.394 61.929 1.00 31.04 1165 1171 C 'C' GLY 148 1 1 '151' . -7.425 57.171 61.398 1.00 33.64 1166 1172 O 'O' GLY 148 1 1 '151' . -7.220 56.714 60.255 1.00 32.57 1167 1173 N 'N' ALA 149 1 1 '152' . -8.330 56.629 62.209 1.00 34.68 1168 1174 C 'CA' ALA 149 1 1 '152' . -9.102 55.457 61.753 1.00 35.17 1169 1175 C 'CB' ALA 149 1 1 '152' . -10.126 54.997 62.890 1.00 33.55 1170 1176 C 'C' ALA 149 1 1 '152' . -9.848 55.805 60.422 1.00 34.44 1171 1177 O 'O' ALA 149 1 1 '152' . -9.903 54.989 59.477 1.00 34.00 1172 1178 N 'N' PHE 150 1 1 '153' . -10.345 57.041 60.328 1.00 33.52 1173 1179 C 'CA' PHE 150 1 1 '153' . -11.079 57.483 59.133 1.00 32.86 1174 1180 C 'CB' PHE 150 1 1 '153' . -11.504 58.944 59.288 1.00 32.30 1175 1181 C 'CG' PHE 150 1 1 '153' . -12.145 59.225 60.608 1.00 35.91 1176 1182 C 'CD1' PHE 150 1 1 '153' . -13.540 59.073 60.779 1.00 37.09 1177 1183 C 'CD2' PHE 150 1 1 '153' . -11.373 59.629 61.703 1.00 33.87 1178 1184 C 'CE1' PHE 150 1 1 '153' . -14.139 59.325 62.023 1.00 36.45 1179 1185 C 'CE2' PHE 150 1 1 '153' . -11.964 59.888 62.960 1.00 33.38 1180 1186 C 'CZ' PHE 150 1 1 '153' . -13.320 59.740 63.128 1.00 35.88 1181 1187 C 'C' PHE 150 1 1 '153' . -10.313 57.307 57.848 1.00 31.38 1182 1188 O 'O' PHE 150 1 1 '153' . -10.911 56.991 56.811 1.00 29.93 1183 1189 N 'N' GLY 151 1 1 '154' . -8.991 57.523 57.900 1.00 31.73 1184 1190 C 'CA' GLY 151 1 1 '154' . -8.196 57.350 56.702 1.00 30.13 1185 1191 C 'C' GLY 151 1 1 '154' . -7.440 56.042 56.571 1.00 31.15 1186 1192 O 'O' GLY 151 1 1 '154' . -7.054 55.646 55.460 1.00 32.74 1187 1193 N 'N' PHE 152 1 1 '155' . -7.233 55.331 57.676 1.00 31.01 1188 1194 C 'CA' PHE 152 1 1 '155' . -6.399 54.167 57.576 1.00 30.27 1189 1195 C 'CB' PHE 152 1 1 '155' . -4.980 54.595 57.984 1.00 28.79 1190 1196 C 'CG' PHE 152 1 1 '155' . -4.399 55.676 57.064 1.00 27.38 1191 1197 C 'CD1' PHE 152 1 1 '155' . -3.825 55.343 55.839 1.00 27.42 1192 1198 C 'CD2' PHE 152 1 1 '155' . -4.528 57.015 57.376 1.00 28.25 1193 1199 C 'CE1' PHE 152 1 1 '155' . -3.388 56.317 54.945 1.00 28.58 1194 1200 C 'CE2' PHE 152 1 1 '155' . -4.090 58.015 56.479 1.00 26.97 1195 1201 C 'CZ' PHE 152 1 1 '155' . -3.516 57.659 55.264 1.00 27.50 1196 1202 C 'C' PHE 152 1 1 '155' . -6.829 52.889 58.253 1.00 31.67 1197 1203 O 'O' PHE 152 1 1 '155' . -6.070 51.941 58.316 1.00 30.98 1198 1204 N 'N' LEU 153 1 1 '156' . -8.059 52.840 58.735 1.00 34.59 1199 1205 C 'CA' LEU 153 1 1 '156' . -8.551 51.603 59.358 1.00 36.31 1200 1206 C 'CB' LEU 153 1 1 '156' . -10.010 51.759 59.783 1.00 37.48 1201 1207 C 'CG' LEU 153 1 1 '156' . -10.483 50.540 60.578 1.00 40.99 1202 1208 C 'CD1' LEU 153 1 1 '156' . -10.528 50.818 62.089 1.00 39.47 1203 1209 C 'CD2' LEU 153 1 1 '156' . -11.855 50.205 60.084 1.00 40.24 1204 1210 C 'C' LEU 153 1 1 '156' . -8.416 50.583 58.221 1.00 35.90 1205 1211 O 'O' LEU 153 1 1 '156' . -8.874 50.825 57.120 1.00 36.70 1206 1212 N 'N' ALA 154 1 1 '157' . -7.778 49.458 58.489 1.00 35.65 1207 1213 C 'CA' ALA 154 1 1 '157' . -7.532 48.474 57.452 1.00 37.32 1208 1214 C 'CB' ALA 154 1 1 '157' . -6.023 48.495 57.078 1.00 31.90 1209 1215 C 'C' ALA 154 1 1 '157' . -7.973 47.016 57.765 1.00 39.51 1210 1216 O 'O' ALA 154 1 1 '157' . -7.418 46.344 58.647 1.00 39.80 1211 1217 N 'N' LEU 155 1 1 '158' . -8.971 46.541 57.039 1.00 39.98 1212 1218 C 'CA' LEU 155 1 1 '158' . -9.436 45.161 57.194 1.00 42.33 1213 1219 C 'CB' LEU 155 1 1 '158' . -10.925 45.150 57.610 1.00 41.37 1214 1220 C 'CG' LEU 155 1 1 '158' . -11.056 45.478 59.123 1.00 42.67 1215 1221 C 'CD1' LEU 155 1 1 '158' . -12.494 45.877 59.476 1.00 39.02 1216 1222 C 'CD2' LEU 155 1 1 '158' . -10.519 44.264 59.956 1.00 40.30 1217 1223 C 'C' LEU 155 1 1 '158' . -9.208 44.570 55.808 1.00 41.58 1218 1224 O 'O' LEU 155 1 1 '158' . -10.105 44.492 54.997 1.00 42.47 1219 1225 N 'N' HIS 156 1 1 '159' . -7.977 44.184 55.525 1.00 44.85 1220 1226 C 'CA' HIS 156 1 1 '159' . -7.628 43.665 54.187 1.00 46.32 1221 1227 C 'CB' HIS 156 1 1 '159' . -6.211 43.157 54.166 1.00 44.34 1222 1228 C 'CG' HIS 156 1 1 '159' . -5.742 42.750 52.809 1.00 44.84 1223 1229 C 'CD2' HIS 156 1 1 '159' . -5.307 41.554 52.340 1.00 43.96 1224 1230 N 'ND1' HIS 156 1 1 '159' . -5.641 43.639 51.756 1.00 45.14 1225 1231 C 'CE1' HIS 156 1 1 '159' . -5.165 43.004 50.698 1.00 45.18 1226 1232 N 'NE2' HIS 156 1 1 '159' . -4.955 41.738 51.026 1.00 44.16 1227 1233 C 'C' HIS 156 1 1 '159' . -8.563 42.538 53.796 1.00 48.66 1228 1234 O 'O' HIS 156 1 1 '159' . -8.804 41.632 54.608 1.00 48.75 1229 1235 N 'N' GLY 157 1 1 '160' . -9.079 42.594 52.562 1.00 49.37 1230 1236 C 'CA' GLY 157 1 1 '160' . -10.019 41.578 52.102 1.00 49.43 1231 1237 C 'C' GLY 157 1 1 '160' . -11.412 42.178 51.966 1.00 49.77 1232 1238 O 'O' GLY 157 1 1 '160' . -12.197 41.778 51.115 1.00 50.08 1233 1239 N 'N' SER 158 1 1 '161' . -11.721 43.156 52.813 1.00 50.46 1234 1240 C 'CA' SER 158 1 1 '161' . -13.012 43.828 52.775 1.00 50.30 1235 1241 C 'CB' SER 158 1 1 '161' . -13.348 44.375 54.151 1.00 51.15 1236 1242 O 'OG' SER 158 1 1 '161' . -14.557 45.134 54.101 1.00 57.20 1237 1243 C 'C' SER 158 1 1 '161' . -12.921 44.986 51.797 1.00 51.02 1238 1244 O 'O' SER 158 1 1 '161' . -11.857 45.584 51.641 1.00 51.95 1239 1245 N 'N' GLN 159 1 1 '162' . -14.015 45.316 51.130 1.00 50.32 1240 1246 C 'CA' GLN 159 1 1 '162' . -13.970 46.427 50.207 1.00 51.69 1241 1247 C 'CB' GLN 159 1 1 '162' . -14.767 46.136 48.921 1.00 55.80 1242 1248 C 'CG' GLN 159 1 1 '162' . -14.158 45.076 47.967 1.00 60.10 1243 1249 C 'CD' GLN 159 1 1 '162' . -12.704 45.378 47.576 1.00 64.31 1244 1250 O 'OE1' GLN 159 1 1 '162' . -12.310 46.555 47.414 1.00 65.96 1245 1251 N 'NE2' GLN 159 1 1 '162' . -11.900 44.312 47.405 1.00 63.96 1246 1252 C 'C' GLN 159 1 1 '162' . -14.561 47.619 50.937 1.00 50.77 1247 1253 O 'O' GLN 159 1 1 '162' . -14.497 48.736 50.461 1.00 49.70 1248 1254 N 'N' GLU 160 1 1 '163' . -15.139 47.376 52.106 1.00 50.26 1249 1255 C 'CA' GLU 160 1 1 '163' . -15.726 48.466 52.871 1.00 49.78 1250 1256 C 'CB' GLU 160 1 1 '163' . -16.828 47.912 53.787 1.00 53.57 1251 1257 C 'CG' GLU 160 1 1 '163' . -18.055 47.355 52.999 1.00 56.67 1252 1258 C 'CD' GLU 160 1 1 '163' . -18.636 48.385 52.017 1.00 59.91 1253 1259 O 'OE1' GLU 160 1 1 '163' . -18.972 47.989 50.867 1.00 60.39 1254 1260 O 'OE2' GLU 160 1 1 '163' . -18.755 49.588 52.390 1.00 59.73 1255 1261 C 'C' GLU 160 1 1 '163' . -14.710 49.327 53.672 1.00 47.99 1256 1262 O 'O' GLU 160 1 1 '163' . -14.936 50.516 53.873 1.00 46.15 1257 1263 N 'N' ALA 161 1 1 '164' . -13.600 48.722 54.110 1.00 45.33 1258 1264 C 'CA' ALA 161 1 1 '164' . -12.543 49.426 54.861 1.00 43.12 1259 1265 C 'CB' ALA 161 1 1 '164' . -12.805 49.339 56.393 1.00 41.19 1260 1266 C 'C' ALA 161 1 1 '164' . -11.267 48.661 54.474 1.00 41.58 1261 1267 O 'O' ALA 161 1 1 '164' . -10.690 47.924 55.295 1.00 42.05 1262 1268 N 'N' PRO 162 1 1 '165' . -10.821 48.827 53.206 1.00 39.36 1263 1269 C 'CD' PRO 162 1 1 '165' . -11.353 49.855 52.282 1.00 37.52 1264 1270 C 'CA' PRO 162 1 1 '165' . -9.636 48.162 52.649 1.00 37.83 1265 1271 C 'CB' PRO 162 1 1 '165' . -9.776 48.388 51.145 1.00 36.61 1266 1272 C 'CG' PRO 162 1 1 '165' . -10.389 49.793 51.085 1.00 37.52 1267 1273 C 'C' PRO 162 1 1 '165' . -8.317 48.685 53.159 1.00 39.10 1268 1274 O 'O' PRO 162 1 1 '165' . -7.297 48.011 53.002 1.00 38.29 1269 1275 N 'N' GLY 163 1 1 '166' . -8.352 49.867 53.784 1.00 36.76 1270 1276 C 'CA' GLY 163 1 1 '166' . -7.115 50.481 54.240 1.00 37.01 1271 1277 C 'C' GLY 163 1 1 '166' . -6.566 51.387 53.120 1.00 36.24 1272 1278 O 'O' GLY 163 1 1 '166' . -7.042 51.332 51.985 1.00 35.44 1273 1279 N 'N' ASN 164 1 1 '167' . -5.600 52.230 53.477 1.00 35.63 1274 1280 C 'CA' ASN 164 1 1 '167' . -4.951 53.168 52.603 1.00 34.64 1275 1281 C 'CB' ASN 164 1 1 '167' . -4.212 52.402 51.484 1.00 35.04 1276 1282 C 'CG' ASN 164 1 1 '167' . -3.037 51.608 52.022 1.00 36.57 1277 1283 O 'OD1' ASN 164 1 1 '167' . -2.482 51.953 53.065 1.00 36.62 1278 1284 N 'ND2' ASN 164 1 1 '167' . -2.644 50.548 51.322 1.00 35.40 1279 1285 C 'C' ASN 164 1 1 '167' . -5.891 54.207 51.985 1.00 34.47 1280 1286 O 'O' ASN 164 1 1 '167' . -5.505 54.905 51.051 1.00 34.62 1281 1287 N 'N' VAL 165 1 1 '168' . -7.109 54.349 52.485 1.00 33.99 1282 1288 C 'CA' VAL 165 1 1 '168' . -7.970 55.283 51.784 1.00 33.35 1283 1289 C 'CB' VAL 165 1 1 '168' . -9.489 55.078 52.186 1.00 32.81 1284 1290 C 'CG1' VAL 165 1 1 '168' . -9.834 53.553 52.031 1.00 32.12 1285 1291 C 'CG2' VAL 165 1 1 '168' . -9.791 55.597 53.580 1.00 32.62 1286 1292 C 'C' VAL 165 1 1 '168' . -7.491 56.737 51.832 1.00 33.55 1287 1293 O 'O' VAL 165 1 1 '168' . -7.693 57.505 50.860 1.00 34.27 1288 1294 N 'N' GLY 166 1 1 '169' . -6.810 57.093 52.930 1.00 33.11 1289 1295 C 'CA' GLY 166 1 1 '169' . -6.241 58.420 53.062 1.00 31.17 1290 1296 C 'C' GLY 166 1 1 '169' . -5.191 58.632 51.964 1.00 30.23 1291 1297 O 'O' GLY 166 1 1 '169' . -5.007 59.751 51.463 1.00 29.94 1292 1298 N 'N' LEU 167 1 1 '170' . -4.494 57.581 51.569 1.00 28.71 1293 1299 C 'CA' LEU 167 1 1 '170' . -3.514 57.784 50.491 1.00 30.63 1294 1300 C 'CB' LEU 167 1 1 '170' . -2.508 56.629 50.363 1.00 27.76 1295 1301 C 'CG' LEU 167 1 1 '170' . -1.434 56.522 51.473 1.00 28.44 1296 1302 C 'CD1' LEU 167 1 1 '170' . -0.807 55.110 51.430 1.00 24.14 1297 1303 C 'CD2' LEU 167 1 1 '170' . -0.314 57.566 51.257 1.00 24.60 1298 1304 C 'C' LEU 167 1 1 '170' . -4.325 57.919 49.181 1.00 31.20 1299 1305 O 'O' LEU 167 1 1 '170' . -3.917 58.672 48.275 1.00 31.10 1300 1306 N 'N' LEU 168 1 1 '171' . -5.442 57.186 49.078 1.00 31.10 1301 1307 C 'CA' LEU 168 1 1 '171' . -6.289 57.292 47.879 1.00 32.56 1302 1308 C 'CB' LEU 168 1 1 '171' . -7.379 56.202 47.850 1.00 33.57 1303 1309 C 'CG' LEU 168 1 1 '171' . -6.822 54.777 47.595 1.00 36.15 1304 1310 C 'CD1' LEU 168 1 1 '171' . -7.995 53.783 47.623 1.00 34.77 1305 1311 C 'CD2' LEU 168 1 1 '171' . -6.080 54.704 46.259 1.00 32.28 1306 1312 C 'C' LEU 168 1 1 '171' . -6.885 58.721 47.856 1.00 31.77 1307 1313 O 'O' LEU 168 1 1 '171' . -6.990 59.285 46.786 1.00 27.27 1308 1314 N 'N' ASP 169 1 1 '172' . -7.223 59.320 49.024 1.00 31.98 1309 1315 C 'CA' ASP 169 1 1 '172' . -7.679 60.727 48.996 1.00 31.64 1310 1316 C 'CB' ASP 169 1 1 '172' . -7.940 61.287 50.423 1.00 31.69 1311 1317 C 'CG' ASP 169 1 1 '172' . -9.057 60.538 51.185 1.00 33.89 1312 1318 O 'OD1' ASP 169 1 1 '172' . -9.901 59.893 50.526 1.00 30.87 1313 1319 O 'OD2' ASP 169 1 1 '172' . -9.109 60.624 52.449 1.00 35.62 1314 1320 C 'C' ASP 169 1 1 '172' . -6.558 61.599 48.325 1.00 32.18 1315 1321 O 'O' ASP 169 1 1 '172' . -6.823 62.447 47.451 1.00 32.34 1316 1322 N 'N' GLN 170 1 1 '173' . -5.296 61.381 48.723 1.00 30.82 1317 1323 C 'CA' GLN 170 1 1 '173' . -4.205 62.188 48.196 1.00 30.41 1318 1324 C 'CB' GLN 170 1 1 '173' . -2.861 61.818 48.855 1.00 29.72 1319 1325 C 'CG' GLN 170 1 1 '173' . -2.774 62.087 50.363 1.00 28.07 1320 1326 C 'CD' GLN 170 1 1 '173' . -1.461 61.565 50.962 1.00 31.07 1321 1327 O 'OE1' GLN 170 1 1 '173' . -0.523 61.231 50.199 1.00 28.01 1322 1328 N 'NE2' GLN 170 1 1 '173' . -1.374 61.499 52.333 1.00 28.34 1323 1329 C 'C' GLN 170 1 1 '173' . -4.128 61.995 46.707 1.00 30.72 1324 1330 O 'O' GLN 170 1 1 '173' . -3.995 62.964 45.945 1.00 32.10 1325 1331 N 'N' ARG 171 1 1 '174' . -4.233 60.744 46.289 1.00 30.52 1326 1332 C 'CA' ARG 171 1 1 '174' . -4.149 60.434 44.877 1.00 32.47 1327 1333 C 'CB' ARG 171 1 1 '174' . -4.212 58.911 44.627 1.00 32.07 1328 1334 C 'CG' ARG 171 1 1 '174' . -4.120 58.574 43.100 1.00 33.11 1329 1335 C 'CD' ARG 171 1 1 '174' . -4.201 57.072 42.768 1.00 34.90 1330 1336 N 'NE' ARG 171 1 1 '174' . -3.079 56.298 43.296 1.00 32.75 1331 1337 C 'CZ' ARG 171 1 1 '174' . -3.111 54.966 43.406 1.00 35.92 1332 1338 N 'NH1' ARG 171 1 1 '174' . -4.198 54.293 43.033 1.00 34.43 1333 1339 N 'NH2' ARG 171 1 1 '174' . -2.049 54.282 43.817 1.00 33.73 1334 1340 C 'C' ARG 171 1 1 '174' . -5.274 61.123 44.064 1.00 33.27 1335 1341 O 'O' ARG 171 1 1 '174' . -5.022 61.623 42.953 1.00 29.85 1336 1342 N 'N' MET 172 1 1 '175' . -6.499 61.108 44.621 1.00 33.47 1337 1343 C 'CA' MET 172 1 1 '175' . -7.624 61.742 43.949 1.00 36.00 1338 1344 C 'CB' MET 172 1 1 '175' . -8.923 61.494 44.683 1.00 36.38 1339 1345 C 'CG' MET 172 1 1 '175' . -10.105 61.850 43.754 1.00 40.73 1340 1346 S 'SD' MET 172 1 1 '175' . -11.494 60.807 44.055 1.00 45.58 1341 1347 C 'CE' MET 172 1 1 '175' . -12.034 61.577 45.200 1.00 37.16 1342 1348 C 'C' MET 172 1 1 '175' . -7.388 63.255 43.786 1.00 34.69 1343 1349 O 'O' MET 172 1 1 '175' . -7.632 63.799 42.732 1.00 34.45 1344 1350 N 'N' ALA 173 1 1 '176' . -6.898 63.928 44.820 1.00 34.32 1345 1351 C 'CA' ALA 173 1 1 '176' . -6.591 65.372 44.694 1.00 31.75 1346 1352 C 'CB' ALA 173 1 1 '176' . -6.087 65.920 46.058 1.00 29.11 1347 1353 C 'C' ALA 173 1 1 '176' . -5.506 65.560 43.582 1.00 31.73 1348 1354 O 'O' ALA 173 1 1 '176' . -5.537 66.526 42.795 1.00 29.90 1349 1355 N 'N' LEU 174 1 1 '177' . -4.558 64.621 43.489 1.00 30.97 1350 1356 C 'CA' LEU 174 1 1 '177' . -3.516 64.758 42.465 1.00 31.68 1351 1357 C 'CB' LEU 174 1 1 '177' . -2.350 63.756 42.672 1.00 29.45 1352 1358 C 'CG' LEU 174 1 1 '177' . -1.498 63.957 43.916 1.00 32.24 1353 1359 C 'CD1' LEU 174 1 1 '177' . -0.494 62.830 43.943 1.00 31.99 1354 1360 C 'CD2' LEU 174 1 1 '177' . -0.755 65.378 43.945 1.00 29.64 1355 1361 C 'C' LEU 174 1 1 '177' . -4.142 64.531 41.078 1.00 31.70 1356 1362 O 'O' LEU 174 1 1 '177' . -3.717 65.124 40.076 1.00 29.53 1357 1363 N 'N' GLN 175 1 1 '178' . -5.150 63.667 41.032 1.00 32.55 1358 1364 C 'CA' GLN 175 1 1 '178' . -5.836 63.377 39.766 1.00 31.99 1359 1365 C 'CB' GLN 175 1 1 '178' . -6.866 62.211 39.906 1.00 33.15 1360 1366 C 'CG' GLN 175 1 1 '178' . -7.587 61.810 38.548 1.00 37.44 1361 1367 C 'CD' GLN 175 1 1 '178' . -6.574 61.275 37.539 1.00 38.02 1362 1368 O 'OE1' GLN 175 1 1 '178' . -5.889 60.322 37.821 1.00 41.79 1363 1369 N 'NE2' GLN 175 1 1 '178' . -6.458 61.904 36.396 1.00 41.52 1364 1370 C 'C' GLN 175 1 1 '178' . -6.542 64.671 39.408 1.00 31.15 1365 1371 O 'O' GLN 175 1 1 '178' . -6.505 65.106 38.267 1.00 31.83 1366 1372 N 'N' TRP 176 1 1 '179' . -7.144 65.309 40.393 1.00 29.68 1367 1373 C 'CA' TRP 176 1 1 '179' . -7.846 66.566 40.115 1.00 31.97 1368 1374 C 'CB' TRP 176 1 1 '179' . -8.594 67.065 41.343 1.00 30.52 1369 1375 C 'CG' TRP 176 1 1 '179' . -9.653 68.033 41.043 1.00 32.45 1370 1376 C 'CD2' TRP 176 1 1 '179' . -9.511 69.463 40.962 1.00 30.97 1371 1377 C 'CE2' TRP 176 1 1 '179' . -10.775 69.986 40.661 1.00 31.36 1372 1378 C 'CE3' TRP 176 1 1 '179' . -8.433 70.344 41.124 1.00 29.66 1373 1379 C 'CD1' TRP 176 1 1 '179' . -10.978 67.756 40.791 1.00 31.73 1374 1380 N 'NE1' TRP 176 1 1 '179' . -11.647 68.927 40.558 1.00 33.08 1375 1381 C 'CZ2' TRP 176 1 1 '179' . -11.003 71.363 40.517 1.00 30.07 1376 1382 C 'CZ3' TRP 176 1 1 '179' . -8.661 71.713 40.983 1.00 31.46 1377 1383 C 'CH2' TRP 176 1 1 '179' . -9.939 72.205 40.681 1.00 30.98 1378 1384 C 'C' TRP 176 1 1 '179' . -6.872 67.647 39.633 1.00 32.84 1379 1385 O 'O' TRP 176 1 1 '179' . -7.194 68.365 38.670 1.00 34.23 1380 1386 N 'N' VAL 177 1 1 '180' . -5.699 67.763 40.264 1.00 32.69 1381 1387 C 'CA' VAL 177 1 1 '180' . -4.694 68.772 39.838 1.00 33.69 1382 1388 C 'CB' VAL 177 1 1 '180' . -3.480 68.745 40.825 1.00 34.34 1383 1389 C 'CG1' VAL 177 1 1 '180' . -2.219 69.419 40.242 1.00 34.13 1384 1390 C 'CG2' VAL 177 1 1 '180' . -3.894 69.418 42.091 1.00 32.47 1385 1391 C 'C' VAL 177 1 1 '180' . -4.242 68.469 38.379 1.00 34.12 1386 1392 O 'O' VAL 177 1 1 '180' . -4.211 69.345 37.499 1.00 34.03 1387 1393 N 'N' HIS 178 1 1 '181' . -3.915 67.218 38.126 1.00 33.48 1388 1394 C 'CA' HIS 178 1 1 '181' . -3.519 66.814 36.784 1.00 34.54 1389 1395 C 'CB' HIS 178 1 1 '181' . -3.407 65.284 36.726 1.00 33.86 1390 1396 C 'CG' HIS 178 1 1 '181' . -3.110 64.735 35.362 1.00 36.66 1391 1397 C 'CD2' HIS 178 1 1 '181' . -1.951 64.649 34.670 1.00 35.00 1392 1398 N 'ND1' HIS 178 1 1 '181' . -4.090 64.200 34.543 1.00 36.56 1393 1399 C 'CE1' HIS 178 1 1 '181' . -3.543 63.813 33.407 1.00 37.00 1394 1400 N 'NE2' HIS 178 1 1 '181' . -2.249 64.070 33.458 1.00 35.84 1395 1401 C 'C' HIS 178 1 1 '181' . -4.578 67.272 35.758 1.00 35.46 1396 1402 O 'O' HIS 178 1 1 '181' . -4.239 67.839 34.734 1.00 35.04 1397 1403 N 'N' ASP 179 1 1 '182' . -5.847 67.013 36.067 1.00 34.17 1398 1404 C 'CA' ASP 179 1 1 '182' . -6.948 67.307 35.189 1.00 34.54 1399 1405 C 'CB' ASP 179 1 1 '182' . -8.157 66.446 35.563 1.00 34.57 1400 1406 C 'CG' ASP 179 1 1 '182' . -7.949 64.968 35.263 1.00 36.13 1401 1407 O 'OD1' ASP 179 1 1 '182' . -7.174 64.601 34.335 1.00 40.04 1402 1408 O 'OD2' ASP 179 1 1 '182' . -8.580 64.159 35.942 1.00 35.26 1403 1409 C 'C' ASP 179 1 1 '182' . -7.423 68.765 35.082 1.00 35.89 1404 1410 O 'O' ASP 179 1 1 '182' . -7.913 69.159 34.034 1.00 36.52 1405 1411 N 'N' ASN 180 1 1 '183' . -7.216 69.556 36.120 1.00 34.30 1406 1412 C 'CA' ASN 180 1 1 '183' . -7.733 70.900 36.141 1.00 36.28 1407 1413 C 'CB' ASN 180 1 1 '183' . -8.823 70.987 37.222 1.00 34.64 1408 1414 C 'CG' ASN 180 1 1 '183' . -10.015 70.154 36.888 1.00 36.17 1409 1415 O 'OD1' ASN 180 1 1 '183' . -10.874 70.594 36.111 1.00 34.96 1410 1416 N 'ND2' ASN 180 1 1 '183' . -10.088 68.917 37.459 1.00 33.82 1411 1417 C 'C' ASN 180 1 1 '183' . -6.801 72.052 36.377 1.00 36.38 1412 1418 O 'O' ASN 180 1 1 '183' . -7.207 73.202 36.192 1.00 37.49 1413 1419 N 'N' ILE 181 1 1 '184' . -5.576 71.787 36.825 1.00 36.91 1414 1420 C 'CA' ILE 181 1 1 '184' . -4.689 72.900 37.138 1.00 35.13 1415 1421 C 'CB' ILE 181 1 1 '184' . -3.398 72.378 37.837 1.00 34.56 1416 1422 C 'CG2' ILE 181 1 1 '184' . -2.387 71.854 36.812 1.00 32.15 1417 1423 C 'CG1' ILE 181 1 1 '184' . -2.841 73.467 38.768 1.00 32.72 1418 1424 C 'CD1' ILE 181 1 1 '184' . -3.815 73.779 39.994 1.00 31.68 1419 1425 C 'C' ILE 181 1 1 '184' . -4.389 73.819 35.916 1.00 36.51 1420 1426 O 'O' ILE 181 1 1 '184' . -4.052 74.997 36.103 1.00 35.46 1421 1427 N 'N' GLN 182 1 1 '185' . -4.521 73.296 34.679 1.00 35.31 1422 1428 C 'CA' GLN 182 1 1 '185' . -4.263 74.131 33.494 1.00 35.15 1423 1429 C 'CB' GLN 182 1 1 '185' . -4.495 73.368 32.170 1.00 34.01 1424 1430 C 'CG' GLN 182 1 1 '185' . -5.941 72.995 31.931 1.00 35.35 1425 1431 C 'CD' GLN 182 1 1 '185' . -6.135 71.838 30.899 1.00 38.08 1426 1432 O 'OE1' GLN 182 1 1 '185' . -6.130 70.640 31.265 1.00 37.67 1427 1433 N 'NE2' GLN 182 1 1 '185' . -6.305 72.196 29.621 1.00 33.98 1428 1434 C 'C' GLN 182 1 1 '185' . -5.174 75.375 33.517 1.00 35.13 1429 1435 O 'O' GLN 182 1 1 '185' . -4.741 76.447 33.114 1.00 34.05 1430 1436 N 'N' PHE 183 1 1 '186' . -6.396 75.245 34.030 1.00 34.50 1431 1437 C 'CA' PHE 183 1 1 '186' . -7.325 76.398 34.034 1.00 36.15 1432 1438 C 'CB' PHE 183 1 1 '186' . -8.750 75.892 34.319 1.00 33.82 1433 1439 C 'CG' PHE 183 1 1 '186' . -9.175 74.794 33.358 1.00 35.34 1434 1440 C 'CD1' PHE 183 1 1 '186' . -9.231 75.047 31.979 1.00 33.97 1435 1441 C 'CD2' PHE 183 1 1 '186' . -9.398 73.493 33.805 1.00 32.69 1436 1442 C 'CE1' PHE 183 1 1 '186' . -9.504 74.000 31.042 1.00 36.89 1437 1443 C 'CE2' PHE 183 1 1 '186' . -9.662 72.442 32.914 1.00 36.25 1438 1444 C 'CZ' PHE 183 1 1 '186' . -9.720 72.679 31.505 1.00 35.32 1439 1445 C 'C' PHE 183 1 1 '186' . -6.913 77.504 35.001 1.00 37.98 1440 1446 O 'O' PHE 183 1 1 '186' . -7.334 78.660 34.862 1.00 38.07 1441 1447 N 'N' PHE 184 1 1 '187' . -6.033 77.159 35.945 1.00 37.20 1442 1448 C 'CA' PHE 184 1 1 '187' . -5.577 78.110 36.938 1.00 35.67 1443 1449 C 'CB' PHE 184 1 1 '187' . -5.461 77.441 38.304 1.00 33.73 1444 1450 C 'CG' PHE 184 1 1 '187' . -6.773 76.990 38.869 1.00 33.22 1445 1451 C 'CD1' PHE 184 1 1 '187' . -7.293 75.731 38.550 1.00 31.23 1446 1452 C 'CD2' PHE 184 1 1 '187' . -7.502 77.832 39.742 1.00 31.35 1447 1453 C 'CE1' PHE 184 1 1 '187' . -8.504 75.313 39.089 1.00 27.65 1448 1454 C 'CE2' PHE 184 1 1 '187' . -8.707 77.421 40.277 1.00 29.84 1449 1455 C 'CZ' PHE 184 1 1 '187' . -9.220 76.148 39.948 1.00 28.48 1450 1456 C 'C' PHE 184 1 1 '187' . -4.243 78.632 36.520 1.00 35.93 1451 1457 O 'O' PHE 184 1 1 '187' . -3.593 79.359 37.268 1.00 36.01 1452 1458 N 'N' GLY 185 1 1 '188' . -3.837 78.266 35.311 1.00 35.97 1453 1459 C 'CA' GLY 185 1 1 '188' . -2.534 78.700 34.835 1.00 36.74 1454 1460 C 'C' GLY 185 1 1 '188' . -1.370 77.766 35.183 1.00 37.20 1455 1461 O 'O' GLY 185 1 1 '188' . -0.191 78.109 34.937 1.00 37.89 1456 1462 N 'N' GLY 186 1 1 '189' . -1.683 76.588 35.740 1.00 36.13 1457 1463 C 'CA' GLY 186 1 1 '189' . -0.653 75.627 36.118 1.00 35.32 1458 1464 C 'C' GLY 186 1 1 '189' . -0.298 74.675 34.980 1.00 36.63 1459 1465 O 'O' GLY 186 1 1 '189' . -1.120 74.401 34.119 1.00 36.71 1460 1466 N 'N' ASP 187 1 1 '190' . 0.940 74.206 34.942 1.00 35.43 1461 1467 C 'CA' ASP 187 1 1 '190' . 1.348 73.266 33.916 1.00 36.67 1462 1468 C 'CB' ASP 187 1 1 '190' . 2.782 73.596 33.467 1.00 36.34 1463 1469 C 'CG' ASP 187 1 1 '190' . 3.335 72.599 32.461 1.00 38.12 1464 1470 O 'OD1' ASP 187 1 1 '190' . 2.544 71.828 31.892 1.00 38.89 1465 1471 O 'OD2' ASP 187 1 1 '190' . 4.566 72.595 32.230 1.00 37.41 1466 1472 C 'C' ASP 187 1 1 '190' . 1.211 71.805 34.466 1.00 35.51 1467 1473 O 'O' ASP 187 1 1 '190' . 2.015 71.362 35.258 1.00 37.12 1468 1474 N 'N' PRO 188 1 1 '191' . 0.195 71.055 34.023 1.00 34.17 1469 1475 C 'CD' PRO 188 1 1 '191' . -0.793 71.376 32.968 1.00 33.92 1470 1476 C 'CA' PRO 188 1 1 '191' . 0.043 69.686 34.524 1.00 34.65 1471 1477 C 'CB' PRO 188 1 1 '191' . -1.271 69.202 33.871 1.00 34.28 1472 1478 C 'CG' PRO 188 1 1 '191' . -1.309 69.987 32.527 1.00 34.23 1473 1479 C 'C' PRO 188 1 1 '191' . 1.240 68.773 34.238 1.00 35.86 1474 1480 O 'O' PRO 188 1 1 '191' . 1.377 67.711 34.845 1.00 36.35 1475 1481 N 'N' LYS 189 1 1 '192' . 2.139 69.176 33.350 1.00 36.38 1476 1482 C 'CA' LYS 189 1 1 '192' . 3.280 68.299 33.083 1.00 36.89 1477 1483 C 'CB' LYS 189 1 1 '192' . 3.631 68.283 31.574 1.00 37.53 1478 1484 C 'CG' LYS 189 1 1 '192' . 4.323 69.477 31.004 1.00 42.45 1479 1485 C 'CD' LYS 189 1 1 '192' . 4.119 69.474 29.420 1.00 45.07 1480 1486 C 'CE' LYS 189 1 1 '192' . 4.488 70.805 28.775 1.00 45.58 1481 1488 C 'C' LYS 189 1 1 '192' . 4.478 68.662 33.964 1.00 36.15 1482 1489 O 'O' LYS 189 1 1 '192' . 5.539 68.012 33.933 1.00 35.14 1483 1490 N 'N' THR 190 1 1 '193' . 4.285 69.673 34.800 1.00 35.05 1484 1491 C 'CA' THR 190 1 1 '193' . 5.364 70.075 35.682 1.00 35.27 1485 1492 C 'CB' THR 190 1 1 '193' . 6.007 71.413 35.185 1.00 36.07 1486 1493 O 'OG1' THR 190 1 1 '193' . 6.261 71.286 33.781 1.00 36.45 1487 1494 C 'CG2' THR 190 1 1 '193' . 7.343 71.697 35.884 1.00 31.99 1488 1495 C 'C' THR 190 1 1 '193' . 4.914 70.203 37.141 1.00 34.03 1489 1496 O 'O' THR 190 1 1 '193' . 5.115 71.271 37.775 1.00 33.78 1490 1497 N 'N' VAL 191 1 1 '194' . 4.287 69.150 37.672 1.00 31.90 1491 1498 C 'CA' VAL 191 1 1 '194' . 3.916 69.246 39.066 1.00 32.48 1492 1499 C 'CB' VAL 191 1 1 '194' . 2.368 68.941 39.356 1.00 33.83 1493 1500 C 'CG1' VAL 191 1 1 '194' . 1.608 68.675 38.100 1.00 31.96 1494 1501 C 'CG2' VAL 191 1 1 '194' . 2.168 67.935 40.418 1.00 32.23 1495 1502 C 'C' VAL 191 1 1 '194' . 4.834 68.506 40.020 1.00 33.68 1496 1503 O 'O' VAL 191 1 1 '194' . 5.218 67.353 39.795 1.00 34.87 1497 1504 N 'N' THR 192 1 1 '195' . 5.249 69.234 41.057 1.00 34.03 1498 1505 C 'CA' THR 192 1 1 '195' . 6.091 68.683 42.102 1.00 33.49 1499 1506 C 'CB' THR 192 1 1 '195' . 7.246 69.636 42.523 1.00 32.03 1500 1507 O 'OG1' THR 192 1 1 '195' . 8.142 69.801 41.427 1.00 35.47 1501 1508 C 'CG2' THR 192 1 1 '195' . 8.075 69.007 43.687 1.00 32.33 1502 1509 C 'C' THR 192 1 1 '195' . 5.243 68.458 43.323 1.00 32.31 1503 1510 O 'O' THR 192 1 1 '195' . 4.577 69.402 43.776 1.00 32.92 1504 1511 N 'N' ILE 193 1 1 '196' . 5.206 67.222 43.839 1.00 31.51 1505 1512 C 'CA' ILE 193 1 1 '196' . 4.501 66.986 45.116 1.00 29.69 1506 1513 C 'CB' ILE 193 1 1 '196' . 3.839 65.579 45.201 1.00 31.26 1507 1514 C 'CG2' ILE 193 1 1 '196' . 2.722 65.462 44.128 1.00 30.68 1508 1515 C 'CG1' ILE 193 1 1 '196' . 4.870 64.462 45.016 1.00 28.21 1509 1516 C 'CD1' ILE 193 1 1 '196' . 4.228 63.063 45.157 1.00 31.12 1510 1517 C 'C' ILE 193 1 1 '196' . 5.583 67.128 46.219 1.00 29.76 1511 1518 O 'O' ILE 193 1 1 '196' . 6.742 66.725 46.042 1.00 28.96 1512 1519 N 'N' PHE 194 1 1 '197' . 5.245 67.774 47.326 1.00 31.47 1513 1520 C 'CA' PHE 194 1 1 '197' . 6.207 67.934 48.411 1.00 30.06 1514 1521 C 'CB' PHE 194 1 1 '197' . 7.052 69.210 48.255 1.00 29.39 1515 1522 C 'CG' PHE 194 1 1 '197' . 6.357 70.531 48.575 1.00 30.82 1516 1523 C 'CD1' PHE 194 1 1 '197' . 5.176 70.920 47.947 1.00 31.32 1517 1524 C 'CD2' PHE 194 1 1 '197' . 7.000 71.465 49.410 1.00 30.78 1518 1525 C 'CE1' PHE 194 1 1 '197' . 4.652 72.222 48.145 1.00 31.51 1519 1526 C 'CE2' PHE 194 1 1 '197' . 6.494 72.774 49.623 1.00 30.04 1520 1527 C 'CZ' PHE 194 1 1 '197' . 5.330 73.159 49.000 1.00 29.66 1521 1528 C 'C' PHE 194 1 1 '197' . 5.499 67.845 49.729 1.00 30.97 1522 1529 O 'O' PHE 194 1 1 '197' . 4.333 68.195 49.823 1.00 32.23 1523 1530 N 'N' GLY 195 1 1 '198' . 6.158 67.306 50.743 1.00 30.96 1524 1531 C 'CA' GLY 195 1 1 '198' . 5.484 67.142 52.030 1.00 30.51 1525 1532 C 'C' GLY 195 1 1 '198' . 6.466 66.891 53.160 1.00 29.34 1526 1533 O 'O' GLY 195 1 1 '198' . 7.622 66.603 52.902 1.00 28.81 1527 1534 N 'N' GLU 196 1 1 '199' . 6.012 67.068 54.402 1.00 29.28 1528 1535 C 'CA' GLU 196 1 1 '199' . 6.885 66.907 55.556 1.00 28.88 1529 1536 C 'CB' GLU 196 1 1 '199' . 7.058 68.244 56.318 1.00 28.05 1530 1537 C 'CG' GLU 196 1 1 '199' . 8.079 68.178 57.469 1.00 26.01 1531 1538 C 'CD' GLU 196 1 1 '199' . 7.439 67.833 58.808 1.00 30.62 1532 1539 O 'OE1' GLU 196 1 1 '199' . 6.191 67.765 58.846 1.00 29.62 1533 1540 O 'OE2' GLU 196 1 1 '199' . 8.180 67.635 59.829 1.00 31.02 1534 1541 C 'C' GLU 196 1 1 '199' . 6.383 65.847 56.512 1.00 28.56 1535 1542 O 'O' GLU 196 1 1 '199' . 5.176 65.752 56.752 1.00 27.48 1536 1543 N 'N' SER 197 1 1 '200' . 7.324 65.078 57.063 1.00 27.06 1537 1544 C 'CA' SER 197 1 1 '200' . 7.032 64.017 58.016 1.00 28.15 1538 1545 C 'CB' SER 197 1 1 '200' . 6.440 64.623 59.270 1.00 28.80 1539 1546 O 'OG' SER 197 1 1 '200' . 6.457 63.677 60.327 1.00 33.93 1540 1547 C 'C' SER 197 1 1 '200' . 6.079 62.990 57.354 1.00 27.15 1541 1548 O 'O' SER 197 1 1 '200' . 6.426 62.461 56.313 1.00 27.94 1542 1549 N 'N' ALA 198 1 1 '201' . 4.919 62.677 57.924 1.00 25.20 1543 1550 C 'CA' ALA 198 1 1 '201' . 4.001 61.735 57.228 1.00 26.24 1544 1551 C 'CB' ALA 198 1 1 '201' . 2.652 61.545 58.031 1.00 23.74 1545 1552 C 'C' ALA 198 1 1 '201' . 3.696 62.215 55.770 1.00 26.83 1546 1553 O 'O' ALA 198 1 1 '201' . 3.374 61.407 54.887 1.00 25.63 1547 1554 N 'N' GLY 199 1 1 '202' . 3.777 63.530 55.540 1.00 26.92 1548 1555 C 'CA' GLY 199 1 1 '202' . 3.595 64.071 54.192 1.00 27.97 1549 1556 C 'C' GLY 199 1 1 '202' . 4.767 63.715 53.275 1.00 29.54 1550 1557 O 'O' GLY 199 1 1 '202' . 4.580 63.495 52.057 1.00 30.32 1551 1558 N 'N' GLY 200 1 1 '203' . 5.977 63.656 53.852 1.00 28.61 1552 1559 C 'CA' GLY 200 1 1 '203' . 7.173 63.297 53.106 1.00 27.31 1553 1560 C 'C' GLY 200 1 1 '203' . 7.142 61.781 52.877 1.00 28.36 1554 1561 O 'O' GLY 200 1 1 '203' . 7.517 61.284 51.813 1.00 30.40 1555 1562 N 'N' ALA 201 1 1 '204' . 6.684 61.027 53.865 1.00 28.97 1556 1563 C 'CA' ALA 201 1 1 '204' . 6.545 59.575 53.693 1.00 30.82 1557 1564 C 'CB' ALA 201 1 1 '204' . 6.058 58.908 55.024 1.00 29.05 1558 1565 C 'C' ALA 201 1 1 '204' . 5.489 59.338 52.552 1.00 31.19 1559 1566 O 'O' ALA 201 1 1 '204' . 5.693 58.470 51.661 1.00 31.53 1560 1567 N 'N' SER 202 1 1 '205' . 4.372 60.085 52.609 1.00 29.28 1561 1568 C 'CA' SER 202 1 1 '205' . 3.321 59.983 51.574 1.00 30.13 1562 1569 C 'CB' SER 202 1 1 '205' . 2.185 61.008 51.820 1.00 30.48 1563 1570 O 'OG' SER 202 1 1 '205' . 1.417 60.744 52.970 1.00 29.42 1564 1571 C 'C' SER 202 1 1 '205' . 3.938 60.255 50.154 1.00 30.16 1565 1572 O 'O' SER 202 1 1 '205' . 3.692 59.486 49.192 1.00 29.93 1566 1573 N 'N' VAL 203 1 1 '206' . 4.720 61.343 50.024 1.00 27.96 1567 1574 C 'CA' VAL 203 1 1 '206' . 5.334 61.668 48.732 1.00 27.21 1568 1575 C 'CB' VAL 203 1 1 '206' . 6.270 62.889 48.842 1.00 28.89 1569 1576 C 'CG1' VAL 203 1 1 '206' . 7.207 62.990 47.585 1.00 28.14 1570 1577 C 'CG2' VAL 203 1 1 '206' . 5.427 64.158 49.034 1.00 27.45 1571 1578 C 'C' VAL 203 1 1 '206' . 6.105 60.424 48.276 1.00 28.36 1572 1579 O 'O' VAL 203 1 1 '206' . 5.932 59.956 47.143 1.00 30.30 1573 1580 N 'N' GLY 204 1 1 '207' . 6.931 59.865 49.157 1.00 26.44 1574 1581 C 'CA' GLY 204 1 1 '207' . 7.643 58.652 48.804 1.00 26.52 1575 1582 C 'C' GLY 204 1 1 '207' . 6.751 57.464 48.454 1.00 28.28 1576 1583 O 'O' GLY 204 1 1 '207' . 7.119 56.600 47.623 1.00 27.79 1577 1584 N 'N' MET 205 1 1 '208' . 5.572 57.413 49.071 1.00 29.28 1578 1585 C 'CA' MET 205 1 1 '208' . 4.637 56.323 48.771 1.00 30.85 1579 1586 C 'CB' MET 205 1 1 '208' . 3.543 56.256 49.851 1.00 28.10 1580 1587 C 'CG' MET 205 1 1 '208' . 4.043 55.599 51.138 1.00 29.76 1581 1588 S 'SD' MET 205 1 1 '208' . 2.993 55.826 52.602 1.00 30.37 1582 1589 C 'CE' MET 205 1 1 '208' . 3.868 54.808 53.820 1.00 29.48 1583 1590 C 'C' MET 205 1 1 '208' . 4.032 56.477 47.341 1.00 31.88 1584 1591 O 'O' MET 205 1 1 '208' . 3.783 55.475 46.666 1.00 32.70 1585 1592 N 'N' HIS 206 1 1 '209' . 3.813 57.703 46.874 1.00 30.36 1586 1593 C 'CA' HIS 206 1 1 '209' . 3.263 57.898 45.533 1.00 30.62 1587 1594 C 'CB' HIS 206 1 1 '209' . 2.704 59.307 45.371 1.00 30.22 1588 1595 C 'CG' HIS 206 1 1 '209' . 1.517 59.559 46.236 1.00 31.89 1589 1596 C 'CD2' HIS 206 1 1 '209' . 1.340 60.406 47.280 1.00 29.92 1590 1597 N 'ND1' HIS 206 1 1 '209' . 0.318 58.895 46.062 1.00 31.29 1591 1598 C 'CE1' HIS 206 1 1 '209' . -0.554 59.334 46.950 1.00 31.48 1592 1599 N 'NE2' HIS 206 1 1 '209' . 0.045 60.250 47.703 1.00 33.12 1593 1600 C 'C' HIS 206 1 1 '209' . 4.344 57.666 44.491 1.00 30.48 1594 1601 O 'O' HIS 206 1 1 '209' . 4.056 57.374 43.337 1.00 29.22 1595 1602 N 'N' ILE 207 1 1 '210' . 5.593 57.834 44.908 1.00 31.16 1596 1603 C 'CA' ILE 207 1 1 '210' . 6.710 57.565 44.016 1.00 30.63 1597 1604 C 'CB' ILE 207 1 1 '210' . 8.007 58.032 44.654 1.00 31.42 1598 1605 C 'CG2' ILE 207 1 1 '210' . 9.192 57.214 44.091 1.00 31.94 1599 1606 C 'CG1' ILE 207 1 1 '210' . 8.200 59.525 44.445 1.00 30.52 1600 1607 C 'CD1' ILE 207 1 1 '210' . 9.341 60.029 45.278 1.00 28.93 1601 1608 C 'C' ILE 207 1 1 '210' . 6.769 56.010 43.845 1.00 31.73 1602 1609 O 'O' ILE 207 1 1 '210' . 7.086 55.531 42.773 1.00 31.41 1603 1610 N 'N' LEU 208 1 1 '211' . 6.456 55.249 44.902 1.00 29.74 1604 1611 C 'CA' LEU 208 1 1 '211' . 6.493 53.786 44.811 1.00 32.30 1605 1612 C 'CB' LEU 208 1 1 '211' . 6.660 53.148 46.196 1.00 31.05 1606 1613 C 'CG' LEU 208 1 1 '211' . 8.029 53.361 46.875 1.00 35.73 1607 1614 C 'CD1' LEU 208 1 1 '211' . 7.880 53.203 48.392 1.00 36.18 1608 1615 C 'CD2' LEU 208 1 1 '211' . 9.008 52.356 46.389 1.00 37.97 1609 1616 C 'C' LEU 208 1 1 '211' . 5.247 53.176 44.143 1.00 32.29 1610 1617 O 'O' LEU 208 1 1 '211' . 5.344 52.308 43.277 1.00 33.30 1611 1618 N 'N' SER 209 1 1 '212' . 4.089 53.656 44.524 1.00 31.76 1612 1619 C 'CA' SER 209 1 1 '212' . 2.832 53.122 44.017 1.00 33.82 1613 1620 C 'CB' SER 209 1 1 '212' . 1.664 53.737 44.772 1.00 33.25 1614 1621 O 'OG' SER 209 1 1 '212' . 0.476 53.056 44.449 1.00 36.45 1615 1622 C 'C' SER 209 1 1 '212' . 2.609 53.325 42.525 1.00 33.66 1616 1623 O 'O' SER 209 1 1 '212' . 2.485 54.471 42.069 1.00 34.21 1617 1624 N 'N' PRO 210 1 1 '213' . 2.554 52.217 41.754 1.00 33.50 1618 1625 C 'CD' PRO 210 1 1 '213' . 2.623 50.845 42.282 1.00 33.54 1619 1626 C 'CA' PRO 210 1 1 '213' . 2.339 52.228 40.293 1.00 34.36 1620 1627 C 'CB' PRO 210 1 1 '213' . 2.044 50.759 39.951 1.00 33.82 1621 1628 C 'CG' PRO 210 1 1 '213' . 2.853 50.025 41.033 1.00 37.12 1622 1629 C 'C' PRO 210 1 1 '213' . 1.140 53.123 39.953 1.00 33.24 1623 1630 O 'O' PRO 210 1 1 '213' . 1.193 53.912 39.035 1.00 32.98 1624 1631 N 'N' GLY 211 1 1 '214' . 0.083 53.021 40.746 1.00 33.97 1625 1632 C 'CA' GLY 211 1 1 '214' . -1.117 53.813 40.474 1.00 33.73 1626 1633 C 'C' GLY 211 1 1 '214' . -1.008 55.314 40.677 1.00 35.11 1627 1634 O 'O' GLY 211 1 1 '214' . -1.911 56.029 40.285 1.00 35.42 1628 1635 N 'N' SER 212 1 1 '215' . 0.064 55.822 41.282 1.00 34.27 1629 1636 C 'CA' SER 212 1 1 '215' . 0.158 57.271 41.501 1.00 33.84 1630 1637 C 'CB' SER 212 1 1 '215' . 0.510 57.609 42.977 1.00 33.16 1631 1638 O 'OG' SER 212 1 1 '215' . -0.532 57.294 43.859 1.00 33.09 1632 1639 C 'C' SER 212 1 1 '215' . 1.227 57.917 40.648 1.00 34.48 1633 1640 O 'O' SER 212 1 1 '215' . 1.162 59.116 40.387 1.00 34.69 1634 1641 N 'N' ARG 213 1 1 '216' . 2.200 57.117 40.216 1.00 35.23 1635 1642 C 'CA' ARG 213 1 1 '216' . 3.345 57.618 39.481 1.00 37.07 1636 1643 C 'CB' ARG 213 1 1 '216' . 4.200 56.472 38.930 1.00 38.58 1637 1644 C 'CG' ARG 213 1 1 '216' . 4.668 55.475 39.937 1.00 39.98 1638 1645 C 'CD' ARG 213 1 1 '216' . 5.582 54.450 39.285 1.00 38.09 1639 1646 N 'NE' ARG 213 1 1 '216' . 5.807 53.363 40.227 1.00 36.15 1640 1647 C 'CZ' ARG 213 1 1 '216' . 6.321 52.187 39.899 1.00 37.06 1641 1648 N 'NH1' ARG 213 1 1 '216' . 6.464 51.251 40.840 1.00 34.22 1642 1649 N 'NH2' ARG 213 1 1 '216' . 6.719 51.960 38.637 1.00 35.76 1643 1650 C 'C' ARG 213 1 1 '216' . 3.143 58.562 38.325 1.00 37.66 1644 1651 O 'O' ARG 213 1 1 '216' . 3.971 59.468 38.114 1.00 39.17 1645 1652 N 'N' ASP 214 1 1 '217' . 2.096 58.348 37.546 1.00 35.95 1646 1653 C 'CA' ASP 214 1 1 '217' . 1.943 59.180 36.365 1.00 36.52 1647 1654 C 'CB' ASP 214 1 1 '217' . 1.161 58.426 35.267 1.00 36.26 1648 1655 C 'CG' ASP 214 1 1 '217' . 1.796 57.047 34.907 1.00 38.96 1649 1656 O 'OD1' ASP 214 1 1 '217' . 2.931 56.731 35.319 1.00 38.40 1650 1657 O 'OD2' ASP 214 1 1 '217' . 1.155 56.262 34.188 1.00 43.04 1651 1658 C 'C' ASP 214 1 1 '217' . 1.302 60.522 36.653 1.00 36.30 1652 1659 O 'O' ASP 214 1 1 '217' . 1.286 61.357 35.790 1.00 36.32 1653 1660 N 'N' LEU 215 1 1 '218' . 0.808 60.730 37.876 1.00 36.10 1654 1661 C 'CA' LEU 215 1 1 '218' . 0.135 61.968 38.220 1.00 35.07 1655 1662 C 'CB' LEU 215 1 1 '218' . -0.905 61.726 39.312 1.00 34.01 1656 1663 C 'CG' LEU 215 1 1 '218' . -1.921 60.662 38.936 1.00 35.99 1657 1664 C 'CD1' LEU 215 1 1 '218' . -2.803 60.386 40.126 1.00 37.16 1658 1665 C 'CD2' LEU 215 1 1 '218' . -2.722 61.106 37.746 1.00 35.57 1659 1666 C 'C' LEU 215 1 1 '218' . 1.021 63.131 38.655 1.00 36.31 1660 1667 O 'O' LEU 215 1 1 '218' . 0.486 64.167 39.032 1.00 38.17 1661 1668 N 'N' PHE 216 1 1 '219' . 2.351 62.986 38.642 1.00 35.04 1662 1669 C 'CA' PHE 216 1 1 '219' . 3.202 64.115 39.032 1.00 32.29 1663 1670 C 'CB' PHE 216 1 1 '219' . 3.326 64.236 40.582 1.00 31.08 1664 1671 C 'CG' PHE 216 1 1 '219' . 4.001 63.073 41.235 1.00 28.06 1665 1672 C 'CD1' PHE 216 1 1 '219' . 3.284 61.882 41.496 1.00 27.75 1666 1673 C 'CD2' PHE 216 1 1 '219' . 5.390 63.114 41.494 1.00 26.33 1667 1674 C 'CE1' PHE 216 1 1 '219' . 3.963 60.697 42.023 1.00 28.24 1668 1675 C 'CE2' PHE 216 1 1 '219' . 6.074 61.974 42.009 1.00 29.32 1669 1676 C 'CZ' PHE 216 1 1 '219' . 5.350 60.746 42.279 1.00 26.01 1670 1677 C 'C' PHE 216 1 1 '219' . 4.580 63.993 38.373 1.00 33.08 1671 1678 O 'O' PHE 216 1 1 '219' . 4.971 62.914 37.885 1.00 32.00 1672 1679 N 'N' ARG 217 1 1 '220' . 5.338 65.082 38.384 1.00 31.75 1673 1680 C 'CA' ARG 217 1 1 '220' . 6.624 65.051 37.727 1.00 33.96 1674 1681 C 'CB' ARG 217 1 1 '220' . 6.838 66.420 37.042 1.00 34.94 1675 1682 C 'CG' ARG 217 1 1 '220' . 8.173 66.603 36.326 1.00 34.63 1676 1683 C 'CD' ARG 217 1 1 '220' . 8.319 65.602 35.164 1.00 36.47 1677 1684 N 'NE' ARG 217 1 1 '220' . 9.417 66.017 34.271 1.00 39.96 1678 1685 C 'CZ' ARG 217 1 1 '220' . 9.303 66.966 33.322 1.00 39.57 1679 1686 N 'NH1' ARG 217 1 1 '220' . 8.130 67.615 33.125 1.00 36.64 1680 1687 N 'NH2' ARG 217 1 1 '220' . 10.342 67.238 32.544 1.00 36.28 1681 1688 C 'C' ARG 217 1 1 '220' . 7.849 64.728 38.604 1.00 34.48 1682 1689 O 'O' ARG 217 1 1 '220' . 8.633 63.862 38.267 1.00 34.71 1683 1690 N 'N' ARG 218 1 1 '221' . 7.981 65.458 39.710 1.00 32.79 1684 1691 C 'CA' ARG 218 1 1 '221' . 9.105 65.412 40.640 1.00 32.04 1685 1692 C 'CB' ARG 218 1 1 '221' . 9.994 66.640 40.437 1.00 34.99 1686 1693 C 'CG' ARG 218 1 1 '221' . 10.812 66.533 39.227 1.00 42.29 1687 1694 C 'CD' ARG 218 1 1 '221' . 11.862 67.630 39.116 1.00 42.02 1688 1695 N 'NE' ARG 218 1 1 '221' . 11.310 68.720 38.410 1.00 43.00 1689 1696 C 'CZ' ARG 218 1 1 '221' . 11.305 68.852 37.091 1.00 41.98 1690 1697 N 'NH1' ARG 218 1 1 '221' . 11.862 67.948 36.285 1.00 37.95 1691 1698 N 'NH2' ARG 218 1 1 '221' . 10.644 69.888 36.593 1.00 39.60 1692 1699 C 'C' ARG 218 1 1 '221' . 8.585 65.456 42.063 1.00 31.03 1693 1700 O 'O' ARG 218 1 1 '221' . 7.405 65.796 42.313 1.00 27.19 1694 1701 N 'N' ALA 219 1 1 '222' . 9.508 65.213 42.992 1.00 30.41 1695 1702 C 'CA' ALA 219 1 1 '222' . 9.154 65.089 44.410 1.00 31.24 1696 1703 C 'CB' ALA 219 1 1 '222' . 8.926 63.577 44.739 1.00 28.18 1697 1704 C 'C' ALA 219 1 1 '222' . 10.167 65.663 45.369 1.00 31.11 1698 1705 O 'O' ALA 219 1 1 '222' . 11.371 65.619 45.090 1.00 33.45 1699 1706 N 'N' ILE 220 1 1 '223' . 9.657 66.206 46.482 1.00 30.79 1700 1707 C 'CA' ILE 220 1 1 '223' . 10.451 66.763 47.561 1.00 30.39 1701 1708 C 'CB' ILE 220 1 1 '223' . 10.251 68.266 47.688 1.00 31.07 1702 1709 C 'CG2' ILE 220 1 1 '223' . 11.003 68.809 48.967 1.00 31.35 1703 1710 C 'CG1' ILE 220 1 1 '223' . 10.773 68.976 46.438 1.00 31.26 1704 1711 C 'CD1' ILE 220 1 1 '223' . 10.480 70.546 46.499 1.00 28.27 1705 1712 C 'C' ILE 220 1 1 '223' . 9.964 66.095 48.865 1.00 30.31 1706 1713 O 'O' ILE 220 1 1 '223' . 8.783 66.112 49.157 1.00 29.82 1707 1714 N 'N' LEU 221 1 1 '224' . 10.879 65.505 49.627 1.00 28.11 1708 1715 C 'CA' LEU 221 1 1 '224' . 10.558 64.814 50.870 1.00 28.37 1709 1716 C 'CB' LEU 221 1 1 '224' . 10.993 63.345 50.804 1.00 26.43 1710 1717 C 'CG' LEU 221 1 1 '224' . 10.286 62.456 49.778 1.00 27.45 1711 1718 C 'CD1' LEU 221 1 1 '224' . 10.863 62.704 48.382 1.00 24.11 1712 1719 C 'CD2' LEU 221 1 1 '224' . 10.387 61.005 50.205 1.00 22.89 1713 1720 C 'C' LEU 221 1 1 '224' . 11.290 65.489 52.031 1.00 29.13 1714 1721 O 'O' LEU 221 1 1 '224' . 12.536 65.555 52.045 1.00 30.78 1715 1722 N 'N' GLN 222 1 1 '225' . 10.536 65.992 52.999 1.00 29.80 1716 1723 C 'CA' GLN 222 1 1 '225' . 11.132 66.704 54.160 1.00 29.64 1717 1724 C 'CB' GLN 222 1 1 '225' . 10.493 68.105 54.326 1.00 28.48 1718 1725 C 'CG' GLN 222 1 1 '225' . 10.706 69.007 53.117 1.00 29.02 1719 1726 C 'CD' GLN 222 1 1 '225' . 9.837 70.283 53.077 1.00 29.65 1720 1727 O 'OE1' GLN 222 1 1 '225' . 9.484 70.725 52.006 1.00 33.30 1721 1728 N 'NE2' GLN 222 1 1 '225' . 9.512 70.862 54.219 1.00 28.20 1722 1729 C 'C' GLN 222 1 1 '225' . 10.905 65.892 55.441 1.00 29.29 1723 1730 O 'O' GLN 222 1 1 '225' . 9.756 65.680 55.877 1.00 27.70 1724 1731 N 'N' SER 223 1 1 '226' . 12.013 65.396 55.987 1.00 29.54 1725 1732 C 'CA' SER 223 1 1 '226' . 12.016 64.646 57.232 1.00 29.29 1726 1733 C 'CB' SER 223 1 1 '226' . 11.682 65.588 58.422 1.00 30.81 1727 1734 O 'OG' SER 223 1 1 '226' . 12.562 66.720 58.517 1.00 30.20 1728 1735 C 'C' SER 223 1 1 '226' . 11.037 63.507 57.230 1.00 28.59 1729 1736 O 'O' SER 223 1 1 '226' . 10.287 63.318 58.188 1.00 29.42 1730 1737 N 'N' GLY 224 1 1 '227' . 10.996 62.761 56.155 1.00 28.18 1731 1738 C 'CA' GLY 224 1 1 '227' . 10.103 61.612 56.131 1.00 26.71 1732 1739 C 'C' GLY 224 1 1 '227' . 10.379 60.841 54.865 1.00 29.18 1733 1740 O 'O' GLY 224 1 1 '227' . 10.810 61.420 53.849 1.00 28.74 1734 1741 N 'N' SER 225 1 1 '228' . 10.171 59.534 54.937 1.00 29.03 1735 1742 C 'CA' SER 225 1 1 '228' . 10.378 58.692 53.814 1.00 29.84 1736 1743 C 'CB' SER 225 1 1 '228' . 11.858 58.308 53.608 1.00 28.36 1737 1744 O 'OG' SER 225 1 1 '228' . 12.376 57.613 54.687 1.00 32.20 1738 1745 C 'C' SER 225 1 1 '228' . 9.421 57.504 53.964 1.00 30.58 1739 1746 O 'O' SER 225 1 1 '228' . 8.956 57.186 55.065 1.00 30.01 1740 1747 N 'N' PRO 226 1 1 '229' . 9.086 56.867 52.823 1.00 29.27 1741 1748 C 'CD' PRO 226 1 1 '229' . 9.853 56.995 51.566 1.00 26.68 1742 1749 C 'CA' PRO 226 1 1 '229' . 8.145 55.739 52.816 1.00 29.90 1743 1750 C 'CB' PRO 226 1 1 '229' . 8.015 55.395 51.297 1.00 30.21 1744 1751 C 'CG' PRO 226 1 1 '229' . 9.444 55.764 50.742 1.00 29.58 1745 1752 C 'C' PRO 226 1 1 '229' . 8.429 54.541 53.722 1.00 29.97 1746 1753 O 'O' PRO 226 1 1 '229' . 7.502 53.957 54.280 1.00 29.51 1747 1754 N 'N' ASN 227 1 1 '230' . 9.710 54.215 53.883 1.00 28.85 1748 1755 C 'CA' ASN 227 1 1 '230' . 10.142 53.103 54.676 1.00 29.50 1749 1756 C 'CB' ASN 227 1 1 '230' . 11.485 52.622 54.145 1.00 29.50 1750 1757 C 'CG' ASN 227 1 1 '230' . 12.522 53.770 54.118 1.00 33.52 1751 1758 O 'OD1' ASN 227 1 1 '230' . 12.208 54.898 53.671 1.00 30.16 1752 1759 N 'ND2' ASN 227 1 1 '230' . 13.733 53.502 54.600 1.00 29.40 1753 1760 C 'C' ASN 227 1 1 '230' . 10.284 53.423 56.166 1.00 30.72 1754 1761 O 'O' ASN 227 1 1 '230' . 10.808 52.581 56.892 1.00 31.81 1755 1762 N 'N' CYS 228 1 1 '231' . 9.838 54.594 56.631 1.00 28.42 1756 1763 C 'CA' CYS 228 1 1 '231' . 9.960 54.891 58.059 1.00 29.60 1757 1764 C 'CB' CYS 228 1 1 '231' . 9.380 56.271 58.412 1.00 29.56 1758 1765 S 'SG' CYS 228 1 1 '231' . 10.432 57.626 57.874 1.00 28.92 1759 1766 C 'C' CYS 228 1 1 '231' . 9.254 53.792 58.872 1.00 30.29 1760 1767 O 'O' CYS 228 1 1 '231' . 8.199 53.274 58.461 1.00 30.04 1761 1768 N 'N' PRO 229 1 1 '232' . 9.826 53.432 60.032 1.00 29.45 1762 1769 C 'CD' PRO 229 1 1 '232' . 11.013 54.040 60.677 1.00 28.93 1763 1770 C 'CA' PRO 229 1 1 '232' . 9.243 52.368 60.860 1.00 28.85 1764 1771 C 'CB' PRO 229 1 1 '232' . 10.300 52.166 61.981 1.00 27.69 1765 1772 C 'CG' PRO 229 1 1 '232' . 10.912 53.523 62.162 1.00 28.91 1766 1773 C 'C' PRO 229 1 1 '232' . 7.829 52.588 61.366 1.00 30.30 1767 1774 O 'O' PRO 229 1 1 '232' . 7.103 51.622 61.634 1.00 28.36 1768 1775 N 'N' TRP 230 1 1 '233' . 7.433 53.859 61.476 1.00 29.34 1769 1776 C 'CA' TRP 230 1 1 '233' . 6.093 54.241 61.935 1.00 29.51 1770 1777 C 'CB' TRP 230 1 1 '233' . 6.171 55.559 62.730 1.00 27.64 1771 1778 C 'CG' TRP 230 1 1 '233' . 6.987 56.628 62.004 1.00 27.18 1772 1779 C 'CD2' TRP 230 1 1 '233' . 6.522 57.548 60.992 1.00 27.73 1773 1780 C 'CE2' TRP 230 1 1 '233' . 7.644 58.321 60.571 1.00 28.34 1774 1781 C 'CE3' TRP 230 1 1 '233' . 5.271 57.802 60.407 1.00 28.69 1775 1782 C 'CD1' TRP 230 1 1 '233' . 8.341 56.879 62.144 1.00 27.48 1776 1783 N 'NE1' TRP 230 1 1 '233' . 8.732 57.888 61.283 1.00 27.68 1777 1784 C 'CZ2' TRP 230 1 1 '233' . 7.545 59.336 59.593 1.00 27.23 1778 1785 C 'CZ3' TRP 230 1 1 '233' . 5.176 58.823 59.428 1.00 27.54 1779 1786 C 'CH2' TRP 230 1 1 '233' . 6.308 59.572 59.042 1.00 26.94 1780 1787 C 'C' TRP 230 1 1 '233' . 5.089 54.511 60.785 1.00 31.42 1781 1788 O 'O' TRP 230 1 1 '233' . 3.907 54.778 61.060 1.00 33.65 1782 1789 N 'N' ALA 231 1 1 '234' . 5.548 54.468 59.533 1.00 28.84 1783 1790 C 'CA' ALA 231 1 1 '234' . 4.716 54.853 58.396 1.00 28.34 1784 1791 C 'CB' ALA 231 1 1 '234' . 5.598 55.511 57.289 1.00 25.97 1785 1792 C 'C' ALA 231 1 1 '234' . 3.870 53.784 57.762 1.00 29.61 1786 1793 O 'O' ALA 231 1 1 '234' . 3.092 54.097 56.895 1.00 28.11 1787 1794 N 'N' SER 232 1 1 '235' . 4.071 52.520 58.130 1.00 31.62 1788 1795 C 'CA' SER 232 1 1 '235' . 3.245 51.470 57.563 1.00 32.09 1789 1796 C 'CB' SER 232 1 1 '235' . 3.725 51.113 56.164 1.00 31.12 1790 1797 O 'OG' SER 232 1 1 '235' . 4.938 50.399 56.150 1.00 29.48 1791 1798 C 'C' SER 232 1 1 '235' . 3.228 50.252 58.472 1.00 34.24 1792 1799 O 'O' SER 232 1 1 '235' . 3.999 50.183 59.428 1.00 34.30 1793 1800 N 'N' VAL 233 1 1 '236' . 2.304 49.333 58.210 1.00 35.30 1794 1801 C 'CA' VAL 233 1 1 '236' . 2.195 48.090 58.973 1.00 36.07 1795 1802 C 'CB' VAL 233 1 1 '236' . 1.144 48.196 60.103 1.00 35.24 1796 1803 C 'CG1' VAL 233 1 1 '236' . 1.592 49.207 61.155 1.00 34.33 1797 1804 C 'CG2' VAL 233 1 1 '236' . -0.213 48.577 59.525 1.00 35.34 1798 1805 C 'C' VAL 233 1 1 '236' . 1.731 46.998 57.996 1.00 36.94 1799 1806 O 'O' VAL 233 1 1 '236' . 1.259 47.300 56.878 1.00 36.52 1800 1807 N 'N' SER 234 1 1 '237' . 1.861 45.745 58.405 1.00 35.55 1801 1808 C 'CA' SER 234 1 1 '237' . 1.411 44.636 57.563 1.00 36.89 1802 1809 C 'CB' SER 234 1 1 '237' . 1.978 43.306 58.078 1.00 36.57 1803 1810 O 'OG' SER 234 1 1 '237' . 1.404 43.055 59.357 1.00 38.48 1804 1811 C 'C' SER 234 1 1 '237' . -0.136 44.579 57.639 1.00 36.51 1805 1812 O 'O' SER 234 1 1 '237' . -0.764 45.232 58.521 1.00 34.28 1806 1813 N 'N' VAL 235 1 1 '238' . -0.743 43.796 56.737 1.00 35.70 1807 1814 C 'CA' VAL 235 1 1 '238' . -2.196 43.723 56.747 1.00 36.23 1808 1815 C 'CB' VAL 235 1 1 '238' . -2.789 43.034 55.485 1.00 38.20 1809 1816 C 'CG1' VAL 235 1 1 '238' . -2.373 43.763 54.276 1.00 37.28 1810 1817 C 'CG2' VAL 235 1 1 '238' . -2.374 41.570 55.418 1.00 37.15 1811 1818 C 'C' VAL 235 1 1 '238' . -2.666 43.008 57.981 1.00 35.61 1812 1819 O 'O' VAL 235 1 1 '238' . -3.755 43.305 58.496 1.00 35.33 1813 1820 N 'N' ALA 236 1 1 '239' . -1.846 42.083 58.481 1.00 35.20 1814 1821 C 'CA' ALA 236 1 1 '239' . -2.216 41.383 59.727 1.00 36.27 1815 1822 C 'CB' ALA 236 1 1 '239' . -1.239 40.198 60.018 1.00 33.18 1816 1823 C 'C' ALA 236 1 1 '239' . -2.217 42.370 60.912 1.00 35.68 1817 1824 O 'O' ALA 236 1 1 '239' . -3.148 42.397 61.707 1.00 36.59 1818 1825 N 'N' GLU 237 1 1 '240' . -1.182 43.195 61.019 1.00 35.93 1819 1826 C 'CA' GLU 237 1 1 '240' . -1.137 44.153 62.133 1.00 34.69 1820 1827 C 'CB' GLU 237 1 1 '240' . 0.249 44.821 62.191 1.00 35.29 1821 1828 C 'CG' GLU 237 1 1 '240' . 0.388 45.946 63.273 1.00 37.06 1822 1829 C 'CD' GLU 237 1 1 '240' . 0.073 45.471 64.710 1.00 36.18 1823 1830 O 'OE1' GLU 237 1 1 '240' . -0.012 44.253 64.939 1.00 37.74 1824 1831 O 'OE2' GLU 237 1 1 '240' . -0.090 46.316 65.611 1.00 36.49 1825 1832 C 'C' GLU 237 1 1 '240' . -2.277 45.174 61.973 1.00 33.58 1826 1833 O 'O' GLU 237 1 1 '240' . -2.959 45.534 62.947 1.00 32.24 1827 1834 N 'N' GLY 238 1 1 '241' . -2.516 45.622 60.735 1.00 34.69 1828 1835 C 'CA' GLY 238 1 1 '241' . -3.615 46.560 60.515 1.00 34.13 1829 1836 C 'C' GLY 238 1 1 '241' . -4.949 45.955 60.961 1.00 35.49 1830 1837 O 'O' GLY 238 1 1 '241' . -5.802 46.626 61.564 1.00 35.21 1831 1838 N 'N' ARG 239 1 1 '242' . -5.122 44.665 60.685 1.00 36.68 1832 1839 C 'CA' ARG 239 1 1 '242' . -6.356 43.965 61.052 1.00 38.65 1833 1840 C 'CB' ARG 239 1 1 '242' . -6.327 42.553 60.391 1.00 39.51 1834 1841 C 'CG' ARG 239 1 1 '242' . -7.378 41.533 60.855 1.00 41.46 1835 1842 C 'CD' ARG 239 1 1 '242' . -7.554 40.336 59.820 1.00 42.40 1836 1843 N 'NE' ARG 239 1 1 '242' . -8.226 40.800 58.595 1.00 41.27 1837 1844 C 'CZ' ARG 239 1 1 '242' . -9.528 41.054 58.520 1.00 41.72 1838 1845 N 'NH1' ARG 239 1 1 '242' . -10.061 41.506 57.390 1.00 42.47 1839 1846 N 'NH2' ARG 239 1 1 '242' . -10.315 40.818 59.569 1.00 41.35 1840 1847 C 'C' ARG 239 1 1 '242' . -6.508 43.896 62.579 1.00 38.27 1841 1848 O 'O' ARG 239 1 1 '242' . -7.554 44.241 63.150 1.00 36.96 1842 1849 N 'N' ARG 240 1 1 '243' . -5.437 43.457 63.235 1.00 38.77 1843 1850 C 'CA' ARG 240 1 1 '243' . -5.394 43.327 64.695 1.00 38.82 1844 1851 C 'CB' ARG 240 1 1 '243' . -3.985 42.843 65.061 1.00 41.05 1845 1852 C 'CG' ARG 240 1 1 '243' . -3.669 42.565 66.521 1.00 46.79 1846 1853 C 'CD' ARG 240 1 1 '243' . -2.332 43.294 66.978 1.00 50.36 1847 1854 N 'NE' ARG 240 1 1 '243' . -2.641 43.926 68.249 1.00 55.42 1848 1855 C 'CZ' ARG 240 1 1 '243' . -2.455 45.196 68.584 1.00 55.86 1849 1856 N 'NH1' ARG 240 1 1 '243' . -1.907 46.081 67.755 1.00 55.42 1850 1857 N 'NH2' ARG 240 1 1 '243' . -2.908 45.584 69.773 1.00 58.83 1851 1858 C 'C' ARG 240 1 1 '243' . -5.775 44.688 65.362 1.00 38.73 1852 1859 O 'O' ARG 240 1 1 '243' . -6.557 44.740 66.335 1.00 36.60 1853 1860 N 'N' ARG 241 1 1 '244' . -5.287 45.802 64.805 1.00 38.05 1854 1861 C 'CA' ARG 241 1 1 '244' . -5.620 47.112 65.399 1.00 37.75 1855 1862 C 'CB' ARG 241 1 1 '244' . -4.672 48.244 64.923 1.00 35.27 1856 1863 C 'CG' ARG 241 1 1 '244' . -3.242 48.036 65.346 1.00 33.85 1857 1864 C 'CD' ARG 241 1 1 '244' . -2.315 49.092 64.778 1.00 34.58 1858 1865 N 'NE' ARG 241 1 1 '244' . -0.908 48.747 64.962 1.00 34.92 1859 1866 C 'CZ' ARG 241 1 1 '244' . 0.117 49.577 64.777 1.00 34.48 1860 1867 N 'NH1' ARG 241 1 1 '244' . -0.079 50.841 64.402 1.00 33.41 1861 1868 N 'NH2' ARG 241 1 1 '244' . 1.350 49.130 64.943 1.00 32.43 1862 1869 C 'C' ARG 241 1 1 '244' . -7.067 47.503 65.162 1.00 36.88 1863 1870 O 'O' ARG 241 1 1 '244' . -7.692 48.077 66.076 1.00 38.30 1864 1871 N 'N' ALA 242 1 1 '245' . -7.599 47.205 63.974 1.00 35.42 1865 1872 C 'CA' ALA 242 1 1 '245' . -9.004 47.513 63.672 1.00 37.98 1866 1873 C 'CB' ALA 242 1 1 '245' . -9.350 47.135 62.208 1.00 38.95 1867 1874 C 'C' ALA 242 1 1 '245' . -9.917 46.728 64.634 1.00 39.49 1868 1875 O 'O' ALA 242 1 1 '245' . -10.897 47.285 65.178 1.00 39.10 1869 1876 N 'N' VAL 243 1 1 '246' . -9.577 45.444 64.843 1.00 38.99 1870 1877 C 'CA' VAL 243 1 1 '246' . -10.338 44.582 65.750 1.00 40.03 1871 1878 C 'CB' VAL 243 1 1 '246' . -9.827 43.082 65.735 1.00 40.27 1872 1879 C 'CG1' VAL 243 1 1 '246' . -10.590 42.280 66.760 1.00 39.49 1873 1880 C 'CG2' VAL 243 1 1 '246' . -9.989 42.432 64.314 1.00 36.44 1874 1881 C 'C' VAL 243 1 1 '246' . -10.222 45.134 67.180 1.00 40.72 1875 1882 O 'O' VAL 243 1 1 '246' . -11.214 45.214 67.914 1.00 42.26 1876 1883 N 'N' GLU 244 1 1 '247' . -9.025 45.530 67.580 1.00 39.80 1877 1884 C 'CA' GLU 244 1 1 '247' . -8.867 46.072 68.916 1.00 39.14 1878 1885 C 'CB' GLU 244 1 1 '247' . -7.377 46.218 69.242 1.00 41.71 1879 1886 C 'CG' GLU 244 1 1 '247' . -7.112 46.424 70.724 1.00 47.90 1880 1887 C 'CD' GLU 244 1 1 '247' . -7.578 45.232 71.597 1.00 49.56 1881 1888 O 'OE1' GLU 244 1 1 '247' . -7.553 45.399 72.847 1.00 52.35 1882 1889 O 'OE2' GLU 244 1 1 '247' . -7.950 44.158 71.044 1.00 48.37 1883 1890 C 'C' GLU 244 1 1 '247' . -9.626 47.405 69.062 1.00 37.97 1884 1891 O 'O' GLU 244 1 1 '247' . -10.188 47.689 70.132 1.00 38.53 1885 1892 N 'N' LEU 245 1 1 '248' . -9.705 48.202 67.992 1.00 36.24 1886 1893 C 'CA' LEU 245 1 1 '248' . -10.467 49.460 68.063 1.00 37.09 1887 1894 C 'CB' LEU 245 1 1 '248' . -10.398 50.246 66.750 1.00 36.58 1888 1895 C 'CG' LEU 245 1 1 '248' . -11.094 51.617 66.805 1.00 37.65 1889 1896 C 'CD1' LEU 245 1 1 '248' . -10.260 52.511 67.757 1.00 39.60 1890 1897 C 'CD2' LEU 245 1 1 '248' . -11.205 52.272 65.435 1.00 33.97 1891 1898 C 'C' LEU 245 1 1 '248' . -11.932 49.086 68.331 1.00 38.52 1892 1899 O 'O' LEU 245 1 1 '248' . -12.595 49.665 69.217 1.00 37.25 1893 1900 N 'N' GLY 246 1 1 '249' . -12.433 48.116 67.560 1.00 38.24 1894 1901 C 'CA' GLY 246 1 1 '249' . -13.800 47.654 67.755 1.00 39.50 1895 1902 C 'C' GLY 246 1 1 '249' . -14.008 47.117 69.165 1.00 39.96 1896 1903 O 'O' GLY 246 1 1 '249' . -15.010 47.443 69.813 1.00 40.07 1897 1904 N 'N' ARG 247 1 1 '250' . -13.056 46.331 69.662 1.00 39.60 1898 1905 C 'CA' ARG 247 1 1 '250' . -13.175 45.795 71.014 1.00 40.66 1899 1906 C 'CB' ARG 247 1 1 '250' . -11.988 44.866 71.278 1.00 40.98 1900 1907 C 'CG' ARG 247 1 1 '250' . -12.037 44.041 72.548 1.00 43.63 1901 1908 C 'CD' ARG 247 1 1 '250' . -10.807 43.116 72.631 1.00 43.40 1902 1909 N 'NE' ARG 247 1 1 '250' . -10.812 42.099 71.552 1.00 46.94 1903 1913 C 'C' ARG 247 1 1 '250' . -13.290 46.915 72.083 1.00 41.57 1904 1914 O 'O' ARG 247 1 1 '250' . -13.993 46.751 73.079 1.00 42.09 1905 1915 N 'N' ASN 248 1 1 '251' . -12.621 48.057 71.863 1.00 42.89 1906 1916 C 'CA' ASN 248 1 1 '251' . -12.643 49.226 72.784 1.00 41.65 1907 1917 C 'CB' ASN 248 1 1 '251' . -11.571 50.270 72.383 1.00 40.66 1908 1918 C 'CG' ASN 248 1 1 '251' . -10.225 50.072 73.089 1.00 39.04 1909 1919 O 'OD1' ASN 248 1 1 '251' . -9.959 50.685 74.120 1.00 39.08 1910 1920 N 'ND2' ASN 248 1 1 '251' . -9.380 49.236 72.528 1.00 34.38 1911 1921 C 'C' ASN 248 1 1 '251' . -13.986 49.966 72.784 1.00 42.04 1912 1922 O 'O' ASN 248 1 1 '251' . -14.295 50.715 73.735 1.00 40.71 1913 1923 N 'N' LEU 249 1 1 '252' . -14.754 49.786 71.704 1.00 42.51 1914 1924 C 'CA' LEU 249 1 1 '252' . -16.066 50.444 71.570 1.00 45.30 1915 1925 C 'CB' LEU 249 1 1 '252' . -16.143 51.243 70.259 1.00 41.40 1916 1926 C 'CG' LEU 249 1 1 '252' . -15.103 52.389 70.231 1.00 42.15 1917 1927 C 'CD1' LEU 249 1 1 '252' . -14.848 52.859 68.808 1.00 40.18 1918 1928 C 'CD2' LEU 249 1 1 '252' . -15.581 53.551 71.049 1.00 40.40 1919 1929 C 'C' LEU 249 1 1 '252' . -17.241 49.448 71.685 1.00 46.86 1920 1930 O 'O' LEU 249 1 1 '252' . -18.364 49.750 71.290 1.00 47.19 1921 1931 N 'N' ASN 250 1 1 '253' . -16.951 48.272 72.237 1.00 49.60 1922 1932 C 'CA' ASN 250 1 1 '253' . -17.949 47.218 72.464 1.00 52.88 1923 1933 C 'CB' ASN 250 1 1 '253' . -18.990 47.719 73.465 1.00 55.02 1924 1934 C 'CG' ASN 250 1 1 '253' . -18.365 48.586 74.559 1.00 59.87 1925 1935 O 'OD1' ASN 250 1 1 '253' . -17.528 48.108 75.346 1.00 60.39 1926 1936 N 'ND2' ASN 250 1 1 '253' . -18.756 49.881 74.601 1.00 60.37 1927 1937 C 'C' ASN 250 1 1 '253' . -18.631 46.836 71.158 1.00 52.50 1928 1938 O 'O' ASN 250 1 1 '253' . -19.856 46.821 71.062 1.00 51.38 1929 1939 N 'N' CYS 251 1 1 '254' . -17.835 46.557 70.141 1.00 51.13 1930 1940 C 'CA' CYS 251 1 1 '254' . -18.418 46.189 68.879 1.00 50.38 1931 1941 C 'C' CYS 251 1 1 '254' . -18.547 44.699 68.796 1.00 50.63 1932 1942 O 'O' CYS 251 1 1 '254' . -17.813 43.943 69.429 1.00 49.44 1933 1943 C 'CB' CYS 251 1 1 '254' . -17.542 46.644 67.714 1.00 49.69 1934 1944 S 'SG' CYS 251 1 1 '254' . -17.619 48.410 67.285 1.00 50.39 1935 1945 N 'N' ASN 252 1 1 '255' . -19.498 44.282 67.981 1.00 51.84 1936 1946 C 'CA' ASN 252 1 1 '255' . -19.695 42.877 67.704 1.00 51.02 1937 1947 C 'CB' ASN 252 1 1 '255' . -20.964 42.729 66.868 1.00 52.94 1938 1948 C 'CG' ASN 252 1 1 '255' . -21.231 41.291 66.470 1.00 54.12 1939 1949 O 'OD1' ASN 252 1 1 '255' . -20.353 40.587 65.933 1.00 53.31 1940 1950 N 'ND2' ASN 252 1 1 '255' . -22.449 40.842 66.731 1.00 54.18 1941 1951 C 'C' ASN 252 1 1 '255' . -18.462 42.580 66.831 1.00 50.02 1942 1952 O 'O' ASN 252 1 1 '255' . -18.253 43.276 65.824 1.00 50.10 1943 1953 N 'N' LEU 253 1 1 '256' . -17.661 41.574 67.176 1.00 48.70 1944 1954 C 'CA' LEU 253 1 1 '256' . -16.477 41.275 66.376 1.00 49.50 1945 1955 C 'CB' LEU 253 1 1 '256' . -15.231 41.219 67.261 1.00 48.78 1946 1956 C 'CG' LEU 253 1 1 '256' . -15.130 42.341 68.292 1.00 49.04 1947 1957 C 'CD1' LEU 253 1 1 '256' . -13.944 42.092 69.186 1.00 46.96 1948 1958 C 'CD2' LEU 253 1 1 '256' . -15.041 43.721 67.557 1.00 49.64 1949 1959 C 'C' LEU 253 1 1 '256' . -16.532 39.979 65.578 1.00 51.60 1950 1960 O 'O' LEU 253 1 1 '256' . -15.485 39.448 65.225 1.00 51.70 1951 1961 N 'N' ASN 254 1 1 '257' . -17.725 39.489 65.250 1.00 52.60 1952 1962 C 'CA' ASN 254 1 1 '257' . -17.851 38.214 64.529 1.00 54.29 1953 1963 C 'CB' ASN 254 1 1 '257' . -19.264 37.662 64.744 1.00 57.00 1954 1964 C 'CG' ASN 254 1 1 '257' . -19.443 37.044 66.138 1.00 59.94 1955 1965 O 'OD1' ASN 254 1 1 '257' . -20.581 36.890 66.619 1.00 62.26 1956 1966 N 'ND2' ASN 254 1 1 '257' . -18.318 36.679 66.787 1.00 59.01 1957 1967 C 'C' ASN 254 1 1 '257' . -17.509 38.153 63.037 1.00 53.57 1958 1968 O 'O' ASN 254 1 1 '257' . -17.205 37.077 62.509 1.00 51.31 1959 1969 N 'N' SER 255 1 1 '258' . -17.600 39.298 62.364 1.00 52.11 1960 1970 C 'CA' SER 255 1 1 '258' . -17.298 39.401 60.946 1.00 51.16 1961 1971 C 'CB' SER 255 1 1 '258' . -18.537 39.097 60.106 1.00 50.86 1962 1972 O 'OG' SER 255 1 1 '258' . -19.545 40.087 60.344 1.00 51.73 1963 1973 C 'C' SER 255 1 1 '258' . -16.874 40.837 60.638 1.00 50.88 1964 1974 O 'O' SER 255 1 1 '258' . -17.236 41.785 61.379 1.00 49.43 1965 1975 N 'N' ASP 256 1 1 '259' . -16.129 40.996 59.541 1.00 50.29 1966 1976 C 'CA' ASP 256 1 1 '259' . -15.712 42.326 59.117 1.00 50.05 1967 1977 C 'CB' ASP 256 1 1 '259' . -14.970 42.257 57.777 1.00 49.41 1968 1978 C 'CG' ASP 256 1 1 '259' . -13.560 41.696 57.935 1.00 50.34 1969 1979 O 'OD1' ASP 256 1 1 '259' . -13.132 41.536 59.099 1.00 52.08 1970 1980 O 'OD2' ASP 256 1 1 '259' . -12.864 41.421 56.922 1.00 50.81 1971 1981 C 'C' ASP 256 1 1 '259' . -16.938 43.228 59.007 1.00 50.32 1972 1982 O 'O' ASP 256 1 1 '259' . -16.948 44.353 59.525 1.00 50.88 1973 1983 N 'N' GLU 257 1 1 '260' . -17.993 42.708 58.383 1.00 51.01 1974 1984 C 'CA' GLU 257 1 1 '260' . -19.219 43.476 58.177 1.00 51.17 1975 1985 C 'CB' GLU 257 1 1 '260' . -20.276 42.646 57.412 1.00 54.07 1976 1986 C 'CG' GLU 257 1 1 '260' . -19.757 41.848 56.189 1.00 57.32 1977 1987 C 'CD' GLU 257 1 1 '260' . -19.034 40.521 56.563 1.00 60.49 1978 1988 O 'OE1' GLU 257 1 1 '260' . -17.787 40.479 56.782 1.00 60.33 1979 1990 C 'C' GLU 257 1 1 '260' . -19.806 43.955 59.490 1.00 49.15 1980 1991 O 'O' GLU 257 1 1 '260' . -20.262 45.105 59.599 1.00 47.44 1981 1992 N 'N' GLU 258 1 1 '261' . -19.824 43.072 60.483 1.00 48.96 1982 1993 C 'CA' GLU 258 1 1 '261' . -20.361 43.457 61.799 1.00 48.72 1983 1994 C 'CB' GLU 258 1 1 '261' . -20.403 42.250 62.771 1.00 51.65 1984 1995 C 'CG' GLU 258 1 1 '261' . -21.493 41.207 62.497 1.00 55.95 1985 1996 C 'CD' GLU 258 1 1 '261' . -22.887 41.781 62.689 1.00 59.10 1986 1998 O 'OE2' GLU 258 1 1 '261' . -23.693 41.138 63.401 1.00 62.04 1987 1999 C 'C' GLU 258 1 1 '261' . -19.492 44.593 62.401 1.00 46.39 1988 2000 O 'O' GLU 258 1 1 '261' . -20.033 45.629 62.811 1.00 43.80 1989 2001 N 'N' LEU 259 1 1 '262' . -18.160 44.393 62.406 1.00 45.16 1990 2002 C 'CA' LEU 259 1 1 '262' . -17.187 45.368 62.945 1.00 43.71 1991 2003 C 'CB' LEU 259 1 1 '262' . -15.757 44.830 62.811 1.00 42.22 1992 2004 C 'CG' LEU 259 1 1 '262' . -14.614 45.791 63.198 1.00 41.39 1993 2005 C 'CD1' LEU 259 1 1 '262' . -14.854 46.369 64.580 1.00 38.54 1994 2006 C 'CD2' LEU 259 1 1 '262' . -13.264 45.030 63.147 1.00 39.20 1995 2007 C 'C' LEU 259 1 1 '262' . -17.301 46.734 62.236 1.00 43.20 1996 2008 O 'O' LEU 259 1 1 '262' . -17.481 47.768 62.870 1.00 40.78 1997 2009 N 'N' ILE 260 1 1 '263' . -17.263 46.711 60.917 1.00 43.75 1998 2010 C 'CA' ILE 260 1 1 '263' . -17.351 47.945 60.165 1.00 45.37 1999 2011 C 'CB' ILE 260 1 1 '263' . -17.165 47.698 58.657 1.00 45.12 2000 2012 C 'CG2' ILE 260 1 1 '263' . -17.475 48.958 57.898 1.00 46.38 2001 2013 C 'CG1' ILE 260 1 1 '263' . -15.747 47.196 58.369 1.00 44.41 2002 2014 C 'CD1' ILE 260 1 1 '263' . -15.534 46.752 56.904 1.00 44.98 2003 2015 C 'C' ILE 260 1 1 '263' . -18.667 48.661 60.399 1.00 46.40 2004 2016 O 'O' ILE 260 1 1 '263' . -18.676 49.879 60.557 1.00 46.67 2005 2017 N 'N' HIS 261 1 1 '264' . -19.776 47.914 60.449 1.00 48.29 2006 2018 C 'CA' HIS 261 1 1 '264' . -21.082 48.535 60.655 1.00 49.15 2007 2019 C 'CB' HIS 261 1 1 '264' . -22.245 47.507 60.569 1.00 53.59 2008 2020 C 'CG' HIS 261 1 1 '264' . -23.595 48.102 60.893 1.00 58.38 2009 2021 C 'CD2' HIS 261 1 1 '264' . -24.435 48.862 60.143 1.00 60.77 2010 2022 N 'ND1' HIS 261 1 1 '264' . -24.147 48.071 62.163 1.00 60.96 2011 2023 C 'CE1' HIS 261 1 1 '264' . -25.258 48.790 62.183 1.00 62.20 2012 2024 N 'NE2' HIS 261 1 1 '264' . -25.455 49.282 60.970 1.00 63.29 2013 2025 C 'C' HIS 261 1 1 '264' . -21.098 49.248 62.001 1.00 48.22 2014 2026 O 'O' HIS 261 1 1 '264' . -21.537 50.418 62.097 1.00 48.67 2015 2027 N 'N' CYS 262 1 1 '265' . -20.625 48.552 63.037 1.00 45.88 2016 2028 C 'CA' CYS 262 1 1 '265' . -20.542 49.136 64.379 1.00 45.77 2017 2029 C 'C' CYS 262 1 1 '265' . -19.670 50.419 64.368 1.00 44.18 2018 2030 O 'O' CYS 262 1 1 '265' . -20.096 51.466 64.869 1.00 41.94 2019 2031 C 'CB' CYS 262 1 1 '265' . -19.942 48.124 65.366 1.00 46.73 2020 2032 S 'SG' CYS 262 1 1 '265' . -19.609 48.754 67.067 1.00 52.21 2021 2033 N 'N' LEU 263 1 1 '266' . -18.474 50.328 63.772 1.00 43.80 2022 2034 C 'CA' LEU 263 1 1 '266' . -17.545 51.486 63.720 1.00 44.33 2023 2035 C 'CB' LEU 263 1 1 '266' . -16.180 51.084 63.099 1.00 41.25 2024 2036 C 'CG' LEU 263 1 1 '266' . -15.359 50.072 63.925 1.00 40.41 2025 2037 C 'CD1' LEU 263 1 1 '266' . -14.097 49.683 63.173 1.00 40.65 2026 2038 C 'CD2' LEU 263 1 1 '266' . -15.005 50.647 65.306 1.00 39.71 2027 2039 C 'C' LEU 263 1 1 '266' . -18.178 52.660 62.960 1.00 45.60 2028 2040 O 'O' LEU 263 1 1 '266' . -17.916 53.813 63.262 1.00 46.42 2029 2041 N 'N' ARG 264 1 1 '267' . -19.057 52.367 62.011 1.00 46.72 2030 2042 C 'CA' ARG 264 1 1 '267' . -19.696 53.426 61.266 1.00 48.22 2031 2043 C 'CB' ARG 264 1 1 '267' . -20.232 52.898 59.951 1.00 47.31 2032 2044 C 'CG' ARG 264 1 1 '267' . -19.148 52.644 58.956 1.00 48.14 2033 2045 C 'CD' ARG 264 1 1 '267' . -19.743 52.382 57.623 1.00 47.89 2034 2046 N 'NE' ARG 264 1 1 '267' . -18.705 52.182 56.646 1.00 48.43 2035 2047 C 'CZ' ARG 264 1 1 '267' . -18.842 51.410 55.584 1.00 49.28 2036 2048 N 'NH1' ARG 264 1 1 '267' . -19.997 50.766 55.388 1.00 47.81 2037 2049 N 'NH2' ARG 264 1 1 '267' . -17.826 51.298 54.724 1.00 49.15 2038 2050 C 'C' ARG 264 1 1 '267' . -20.807 54.127 61.995 1.00 49.41 2039 2051 O 'O' ARG 264 1 1 '267' . -21.189 55.224 61.606 1.00 48.64 2040 2052 N 'N' GLU 265 1 1 '268' . -21.333 53.506 63.047 1.00 51.19 2041 2053 C 'CA' GLU 265 1 1 '268' . -22.425 54.133 63.808 1.00 52.89 2042 2054 C 'CB' GLU 265 1 1 '268' . -23.323 53.079 64.496 1.00 55.37 2043 2055 C 'CG' GLU 265 1 1 '268' . -24.253 52.302 63.545 1.00 60.80 2044 2056 C 'CD' GLU 265 1 1 '268' . -24.956 53.238 62.538 1.00 64.01 2045 2057 O 'OE1' GLU 265 1 1 '268' . -24.700 53.107 61.304 1.00 64.54 2046 2058 O 'OE2' GLU 265 1 1 '268' . -25.742 54.113 62.994 1.00 64.91 2047 2059 C 'C' GLU 265 1 1 '268' . -21.880 55.050 64.883 1.00 52.36 2048 2060 O 'O' GLU 265 1 1 '268' . -22.646 55.810 65.486 1.00 52.14 2049 2061 N 'N' LYS 266 1 1 '269' . -20.573 54.965 65.137 1.00 49.51 2050 2062 C 'CA' LYS 266 1 1 '269' . -19.963 55.782 66.185 1.00 48.06 2051 2063 C 'CB' LYS 266 1 1 '269' . -18.636 55.164 66.621 1.00 47.66 2052 2064 C 'CG' LYS 266 1 1 '269' . -18.741 53.765 67.162 1.00 48.62 2053 2065 C 'CD' LYS 266 1 1 '269' . -19.589 53.718 68.460 1.00 48.33 2054 2066 C 'CE' LYS 266 1 1 '269' . -19.800 52.264 68.886 1.00 49.16 2055 2067 N 'NZ' LYS 266 1 1 '269' . -20.506 52.214 70.197 1.00 51.36 2056 2068 C 'C' LYS 266 1 1 '269' . -19.725 57.217 65.742 1.00 47.34 2057 2069 O 'O' LYS 266 1 1 '269' . -19.424 57.476 64.576 1.00 46.92 2058 2070 N 'N' LYS 267 1 1 '270' . -19.878 58.154 66.670 1.00 47.44 2059 2071 C 'CA' LYS 267 1 1 '270' . -19.637 59.555 66.344 1.00 47.45 2060 2072 C 'CB' LYS 267 1 1 '270' . -20.152 60.472 67.464 1.00 49.11 2061 2073 C 'CG' LYS 267 1 1 '270' . -21.682 60.444 67.631 1.00 52.84 2062 2074 C 'CD' LYS 267 1 1 '270' . -22.229 61.520 68.625 1.00 54.66 2063 2075 C 'CE' LYS 267 1 1 '270' . -22.094 61.161 70.124 1.00 56.09 2064 2077 C 'C' LYS 267 1 1 '270' . -18.100 59.663 66.183 1.00 45.73 2065 2078 O 'O' LYS 267 1 1 '270' . -17.353 58.891 66.802 1.00 45.56 2066 2079 N 'N' PRO 268 1 1 '271' . -17.619 60.590 65.338 1.00 43.11 2067 2080 C 'CD' PRO 268 1 1 '271' . -18.388 61.612 64.600 1.00 41.61 2068 2081 C 'CA' PRO 268 1 1 '271' . -16.173 60.751 65.132 1.00 42.11 2069 2082 C 'CB' PRO 268 1 1 '271' . -16.061 62.088 64.357 1.00 41.87 2070 2083 C 'CG' PRO 268 1 1 '271' . -17.349 62.163 63.621 1.00 42.32 2071 2084 C 'C' PRO 268 1 1 '271' . -15.341 60.757 66.451 1.00 41.67 2072 2085 O 'O' PRO 268 1 1 '271' . -14.397 59.958 66.594 1.00 39.88 2073 2086 N 'N' GLN 269 1 1 '272' . -15.701 61.613 67.404 1.00 40.75 2074 2087 C 'CA' GLN 269 1 1 '272' . -14.951 61.693 68.659 1.00 43.04 2075 2088 C 'CB' GLN 269 1 1 '272' . -15.482 62.836 69.546 1.00 42.48 2076 2089 C 'CG' GLN 269 1 1 '272' . -14.506 63.217 70.694 1.00 43.99 2077 2090 C 'CD' GLN 269 1 1 '272' . -13.071 63.514 70.178 1.00 45.34 2078 2091 O 'OE1' GLN 269 1 1 '272' . -12.904 64.171 69.135 1.00 43.32 2079 2092 N 'NE2' GLN 269 1 1 '272' . -12.038 63.021 70.911 1.00 42.91 2080 2093 C 'C' GLN 269 1 1 '272' . -14.857 60.377 69.486 1.00 43.47 2081 2094 O 'O' GLN 269 1 1 '272' . -13.935 60.207 70.295 1.00 41.15 2082 2095 N 'N' GLU 270 1 1 '273' . -15.789 59.443 69.279 1.00 43.30 2083 2096 C 'CA' GLU 270 1 1 '273' . -15.715 58.163 70.000 1.00 43.52 2084 2097 C 'CB' GLU 270 1 1 '273' . -17.003 57.342 69.841 1.00 45.94 2085 2098 C 'CG' GLU 270 1 1 '273' . -18.216 58.052 70.398 1.00 50.38 2086 2099 C 'CD' GLU 270 1 1 '273' . -19.449 57.193 70.253 1.00 53.78 2087 2100 O 'OE1' GLU 270 1 1 '273' . -19.564 56.236 71.042 1.00 55.35 2088 2101 O 'OE2' GLU 270 1 1 '273' . -20.270 57.456 69.344 1.00 53.20 2089 2102 C 'C' GLU 270 1 1 '273' . -14.558 57.344 69.460 1.00 41.17 2090 2103 O 'O' GLU 270 1 1 '273' . -13.939 56.608 70.196 1.00 41.09 2091 2104 N 'N' LEU 271 1 1 '274' . -14.315 57.425 68.157 1.00 40.00 2092 2105 C 'CA' LEU 271 1 1 '274' . -13.190 56.715 67.557 1.00 40.32 2093 2106 C 'CB' LEU 271 1 1 '274' . -13.276 56.744 66.015 1.00 42.53 2094 2107 C 'CG' LEU 271 1 1 '274' . -13.992 55.582 65.266 1.00 45.02 2095 2108 C 'CD1' LEU 271 1 1 '274' . -15.290 55.254 65.920 1.00 44.08 2096 2109 C 'CD2' LEU 271 1 1 '274' . -14.229 55.940 63.789 1.00 44.56 2097 2110 C 'C' LEU 271 1 1 '274' . -11.890 57.404 68.038 1.00 38.16 2098 2111 O 'O' LEU 271 1 1 '274' . -10.979 56.752 68.502 1.00 36.72 2099 2112 N 'N' ILE 272 1 1 '275' . -11.820 58.721 67.956 1.00 37.19 2100 2113 C 'CA' ILE 272 1 1 '275' . -10.627 59.434 68.390 1.00 36.16 2101 2114 C 'CB' ILE 272 1 1 '275' . -10.793 60.919 68.044 1.00 35.78 2102 2115 C 'CG2' ILE 272 1 1 '275' . -9.719 61.796 68.703 1.00 33.98 2103 2116 C 'CG1' ILE 272 1 1 '275' . -10.789 61.066 66.529 1.00 36.20 2104 2117 C 'CD1' ILE 272 1 1 '275' . -11.385 62.384 66.058 1.00 35.24 2105 2118 C 'C' ILE 272 1 1 '275' . -10.345 59.222 69.913 1.00 37.06 2106 2119 O 'O' ILE 272 1 1 '275' . -9.201 59.148 70.338 1.00 36.87 2107 2120 N 'N' ASP 273 1 1 '276' . -11.381 59.106 70.728 1.00 35.50 2108 2121 C 'CA' ASP 273 1 1 '276' . -11.181 58.891 72.149 1.00 36.26 2109 2122 C 'CB' ASP 273 1 1 '276' . -12.562 58.855 72.887 1.00 37.99 2110 2123 C 'CG' ASP 273 1 1 '276' . -13.069 60.253 73.253 1.00 38.82 2111 2124 O 'OD1' ASP 273 1 1 '276' . -12.315 61.264 73.156 1.00 40.88 2112 2125 O 'OD2' ASP 273 1 1 '276' . -14.220 60.343 73.647 1.00 41.68 2113 2126 C 'C' ASP 273 1 1 '276' . -10.396 57.621 72.534 1.00 36.05 2114 2127 O 'O' ASP 273 1 1 '276' . -9.761 57.614 73.583 1.00 35.84 2115 2128 N 'N' VAL 274 1 1 '277' . -10.462 56.553 71.724 1.00 35.26 2116 2129 C 'CA' VAL 274 1 1 '277' . -9.777 55.275 72.057 1.00 33.88 2117 2130 C 'CB' VAL 274 1 1 '277' . -10.805 54.069 72.104 1.00 33.43 2118 2131 C 'CG1' VAL 274 1 1 '277' . -11.816 54.239 73.257 1.00 29.38 2119 2132 C 'CG2' VAL 274 1 1 '277' . -11.581 53.976 70.783 1.00 31.72 2120 2133 C 'C' VAL 274 1 1 '277' . -8.654 54.893 71.077 1.00 34.86 2121 2134 O 'O' VAL 274 1 1 '277' . -7.963 53.858 71.251 1.00 36.46 2122 2135 N 'N' GLU 275 1 1 '278' . -8.467 55.734 70.060 1.00 33.23 2123 2136 C 'CA' GLU 275 1 1 '278' . -7.466 55.505 69.004 1.00 32.32 2124 2137 C 'CB' GLU 275 1 1 '278' . -7.305 56.806 68.215 1.00 34.18 2125 2138 C 'CG' GLU 275 1 1 '278' . -6.234 56.788 67.109 1.00 37.03 2126 2139 C 'CD' GLU 275 1 1 '278' . -6.103 58.138 66.339 1.00 37.02 2127 2140 O 'OE1' GLU 275 1 1 '278' . -7.082 58.941 66.248 1.00 35.90 2128 2141 O 'OE2' GLU 275 1 1 '278' . -5.011 58.363 65.795 1.00 35.90 2129 2142 C 'C' GLU 275 1 1 '278' . -6.092 55.060 69.520 1.00 33.05 2130 2143 O 'O' GLU 275 1 1 '278' . -5.452 54.127 68.995 1.00 33.18 2131 2144 N 'N' TRP 276 1 1 '279' . -5.603 55.752 70.540 1.00 32.98 2132 2145 C 'CA' TRP 276 1 1 '279' . -4.288 55.433 71.068 1.00 32.74 2133 2146 C 'CB' TRP 276 1 1 '279' . -3.750 56.598 71.909 1.00 34.25 2134 2147 C 'CG' TRP 276 1 1 '279' . -3.615 57.855 71.143 1.00 35.32 2135 2148 C 'CD2' TRP 276 1 1 '279' . -2.524 58.222 70.299 1.00 37.09 2136 2149 C 'CE2' TRP 276 1 1 '279' . -2.820 59.511 69.766 1.00 38.81 2137 2150 C 'CE3' TRP 276 1 1 '279' . -1.319 57.596 69.942 1.00 38.03 2138 2151 C 'CD1' TRP 276 1 1 '279' . -4.519 58.915 71.092 1.00 37.30 2139 2152 N 'NE1' TRP 276 1 1 '279' . -4.039 59.904 70.265 1.00 36.40 2140 2153 C 'CZ2' TRP 276 1 1 '279' . -1.947 60.175 68.894 1.00 39.74 2141 2154 C 'CZ3' TRP 276 1 1 '279' . -0.451 58.247 69.075 1.00 38.86 2142 2155 C 'CH2' TRP 276 1 1 '279' . -0.767 59.531 68.556 1.00 39.61 2143 2156 C 'C' TRP 276 1 1 '279' . -4.243 54.124 71.838 1.00 32.77 2144 2157 O 'O' TRP 276 1 1 '279' . -3.173 53.618 72.036 1.00 35.67 2145 2158 N 'N' ASN 277 1 1 '280' . -5.379 53.533 72.222 1.00 33.56 2146 2159 C 'CA' ASN 277 1 1 '280' . -5.362 52.235 72.947 1.00 34.55 2147 2160 C 'CB' ASN 277 1 1 '280' . -6.728 51.991 73.619 1.00 35.34 2148 2161 C 'CG' ASN 277 1 1 '280' . -7.155 53.165 74.541 1.00 36.86 2149 2162 O 'OD1' ASN 277 1 1 '280' . -6.311 53.970 74.947 1.00 38.88 2150 2163 N 'ND2' ASN 277 1 1 '280' . -8.449 53.243 74.889 1.00 35.20 2151 2164 C 'C' ASN 277 1 1 '280' . -4.998 50.984 72.122 1.00 34.21 2152 2165 O 'O' ASN 277 1 1 '280' . -4.791 49.893 72.681 1.00 34.76 2153 2166 N 'N' VAL 278 1 1 '281' . -4.881 51.109 70.804 1.00 34.47 2154 2167 C 'CA' VAL 278 1 1 '281' . -4.595 49.914 70.013 1.00 34.41 2155 2168 C 'CB' VAL 278 1 1 '281' . -5.457 49.860 68.686 1.00 36.64 2156 2169 C 'CG1' VAL 278 1 1 '281' . -6.951 50.083 69.031 1.00 33.18 2157 2170 C 'CG2' VAL 278 1 1 '281' . -4.953 50.897 67.651 1.00 35.38 2158 2171 C 'C' VAL 278 1 1 '281' . -3.140 49.676 69.640 1.00 35.74 2159 2172 O 'O' VAL 278 1 1 '281' . -2.836 48.692 68.951 1.00 34.41 2160 2173 N 'N' LEU 279 1 1 '282' . -2.249 50.562 70.081 1.00 35.18 2161 2174 C 'CA' LEU 279 1 1 '282' . -0.831 50.391 69.776 1.00 35.95 2162 2175 C 'CB' LEU 279 1 1 '282' . -0.007 51.568 70.337 1.00 33.94 2163 2176 C 'CG' LEU 279 1 1 '282' . -0.204 52.852 69.469 1.00 32.92 2164 2177 C 'CD1' LEU 279 1 1 '282' . 0.473 54.034 70.129 1.00 36.09 2165 2178 C 'CD2' LEU 279 1 1 '282' . 0.359 52.673 68.095 1.00 29.53 2166 2179 C 'C' LEU 279 1 1 '282' . -0.405 49.077 70.423 1.00 37.71 2167 2180 O 'O' LEU 279 1 1 '282' . -0.766 48.796 71.563 1.00 38.00 2168 2181 N 'N' PRO 280 1 1 '283' . 0.383 48.262 69.718 1.00 37.52 2169 2182 C 'CD' PRO 280 1 1 '283' . 0.929 48.385 68.355 1.00 36.76 2170 2183 C 'CA' PRO 280 1 1 '283' . 0.776 46.993 70.353 1.00 39.07 2171 2184 C 'CB' PRO 280 1 1 '283' . 1.337 46.158 69.169 1.00 38.43 2172 2185 C 'CG' PRO 280 1 1 '283' . 1.984 47.265 68.317 1.00 37.76 2173 2186 C 'C' PRO 280 1 1 '283' . 1.791 47.134 71.477 1.00 39.35 2174 2187 O 'O' PRO 280 1 1 '283' . 1.791 46.330 72.392 1.00 40.41 2175 2188 N 'N' PHE 281 1 1 '284' . 2.656 48.141 71.405 1.00 39.71 2176 2189 C 'CA' PHE 281 1 1 '284' . 3.693 48.339 72.422 1.00 38.46 2177 2190 C 'CB' PHE 281 1 1 '284' . 5.079 48.172 71.795 1.00 41.22 2178 2191 C 'CG' PHE 281 1 1 '284' . 5.191 46.996 70.870 1.00 45.02 2179 2192 C 'CD1' PHE 281 1 1 '284' . 5.147 45.686 71.378 1.00 46.31 2180 2193 C 'CD2' PHE 281 1 1 '284' . 5.291 47.200 69.477 1.00 45.22 2181 2194 C 'CE1' PHE 281 1 1 '284' . 5.196 44.560 70.496 1.00 48.80 2182 2195 C 'CE2' PHE 281 1 1 '284' . 5.341 46.120 68.584 1.00 47.31 2183 2196 C 'CZ' PHE 281 1 1 '284' . 5.292 44.778 69.093 1.00 48.12 2184 2197 C 'C' PHE 281 1 1 '284' . 3.680 49.722 73.095 1.00 37.25 2185 2198 O 'O' PHE 281 1 1 '284' . 3.144 50.684 72.554 1.00 36.47 2186 2199 N 'N' ASP 282 1 1 '285' . 4.299 49.798 74.273 1.00 34.65 2187 2200 C 'CA' ASP 282 1 1 '285' . 4.460 51.046 75.001 1.00 33.52 2188 2201 C 'CB' ASP 282 1 1 '285' . 5.122 50.774 76.333 1.00 33.70 2189 2202 C 'CG' ASP 282 1 1 '285' . 5.107 51.974 77.233 1.00 35.13 2190 2203 O 'OD1' ASP 282 1 1 '285' . 4.639 53.047 76.775 1.00 33.20 2191 2204 O 'OD2' ASP 282 1 1 '285' . 5.578 51.823 78.394 1.00 35.31 2192 2205 C 'C' ASP 282 1 1 '285' . 5.468 51.686 74.061 1.00 32.95 2193 2206 O 'O' ASP 282 1 1 '285' . 6.559 51.177 73.858 1.00 33.40 2194 2207 N 'N' SER 283 1 1 '286' . 5.161 52.816 73.499 1.00 31.94 2195 2208 C 'CA' SER 283 1 1 '286' . 6.116 53.262 72.525 1.00 33.93 2196 2209 C 'CB' SER 283 1 1 '286' . 5.813 52.553 71.185 1.00 35.81 2197 2210 O 'OG' SER 283 1 1 '286' . 4.526 52.971 70.734 1.00 37.56 2198 2211 C 'C' SER 283 1 1 '286' . 6.045 54.722 72.300 1.00 34.04 2199 2212 O 'O' SER 283 1 1 '286' . 5.095 55.377 72.721 1.00 36.91 2200 2213 N 'N' ILE 284 1 1 '287' . 7.043 55.216 71.585 1.00 34.36 2201 2214 C 'CA' ILE 284 1 1 '287' . 7.112 56.615 71.215 1.00 32.77 2202 2215 C 'CB' ILE 284 1 1 '287' . 8.257 57.254 72.076 1.00 35.75 2203 2216 C 'CG2' ILE 284 1 1 '287' . 9.564 57.472 71.384 1.00 30.31 2204 2217 C 'CG1' ILE 284 1 1 '287' . 7.683 58.483 72.700 1.00 37.25 2205 2218 C 'CD1' ILE 284 1 1 '287' . 6.782 58.099 73.712 1.00 40.33 2206 2219 C 'C' ILE 284 1 1 '287' . 7.276 56.678 69.681 1.00 33.04 2207 2220 O 'O' ILE 284 1 1 '287' . 7.839 55.762 69.065 1.00 31.81 2208 2221 N 'N' PHE 285 1 1 '288' . 6.741 57.712 69.052 1.00 31.17 2209 2222 C 'CA' PHE 285 1 1 '288' . 6.837 57.852 67.596 1.00 30.96 2210 2223 C 'CB' PHE 285 1 1 '288' . 8.302 57.948 67.132 1.00 29.66 2211 2224 C 'CG' PHE 285 1 1 '288' . 8.532 58.941 65.985 1.00 29.67 2212 2225 C 'CD1' PHE 285 1 1 '288' . 7.701 58.938 64.837 1.00 28.53 2213 2226 C 'CD2' PHE 285 1 1 '288' . 9.583 59.864 66.041 1.00 28.26 2214 2227 C 'CE1' PHE 285 1 1 '288' . 7.914 59.825 63.767 1.00 29.09 2215 2228 C 'CE2' PHE 285 1 1 '288' . 9.814 60.771 64.977 1.00 29.18 2216 2229 C 'CZ' PHE 285 1 1 '288' . 8.972 60.752 63.827 1.00 29.54 2217 2230 C 'C' PHE 285 1 1 '288' . 6.157 56.683 66.846 1.00 32.22 2218 2231 O 'O' PHE 285 1 1 '288' . 6.725 56.142 65.881 1.00 33.63 2219 2232 N 'N' ARG 286 1 1 '289' . 4.977 56.273 67.310 1.00 31.24 2220 2233 C 'CA' ARG 286 1 1 '289' . 4.220 55.183 66.677 1.00 32.48 2221 2234 C 'CB' ARG 286 1 1 '289' . 4.331 53.844 67.454 1.00 31.27 2222 2235 C 'CG' ARG 286 1 1 '289' . 5.662 53.153 67.337 1.00 30.60 2223 2236 C 'CD' ARG 286 1 1 '289' . 6.099 52.935 65.891 1.00 31.48 2224 2237 N 'NE' ARG 286 1 1 '289' . 7.368 52.204 65.839 1.00 31.03 2225 2238 C 'CZ' ARG 286 1 1 '289' . 8.576 52.762 65.721 1.00 30.52 2226 2239 N 'NH1' ARG 286 1 1 '289' . 8.705 54.073 65.642 1.00 28.97 2227 2240 N 'NH2' ARG 286 1 1 '289' . 9.658 51.998 65.668 1.00 30.27 2228 2241 C 'C' ARG 286 1 1 '289' . 2.771 55.688 66.679 1.00 33.19 2229 2242 O 'O' ARG 286 1 1 '289' . 2.314 56.298 67.647 1.00 32.52 2230 2243 N 'N' PHE 287 1 1 '290' . 2.080 55.459 65.569 1.00 32.82 2231 2244 C 'CA' PHE 287 1 1 '290' . 0.728 55.954 65.420 1.00 32.55 2232 2245 C 'CB' PHE 287 1 1 '290' . 0.751 57.034 64.323 1.00 33.30 2233 2246 C 'CG' PHE 287 1 1 '290' . 1.892 58.039 64.493 1.00 31.16 2234 2247 C 'CD1' PHE 287 1 1 '290' . 1.894 58.933 65.544 1.00 31.28 2235 2248 C 'CD2' PHE 287 1 1 '290' . 2.978 58.050 63.611 1.00 31.98 2236 2249 C 'CE1' PHE 287 1 1 '290' . 2.961 59.841 65.727 1.00 32.03 2237 2250 C 'CE2' PHE 287 1 1 '290' . 4.047 58.940 63.769 1.00 29.73 2238 2251 C 'CZ' PHE 287 1 1 '290' . 4.048 59.841 64.824 1.00 29.71 2239 2252 C 'C' PHE 287 1 1 '290' . -0.161 54.768 65.092 1.00 32.00 2240 2253 O 'O' PHE 287 1 1 '290' . 0.256 53.836 64.451 1.00 31.64 2241 2254 N 'N' SER 288 1 1 '291' . -1.394 54.808 65.543 1.00 32.73 2242 2255 C 'CA' SER 288 1 1 '291' . -2.305 53.684 65.346 1.00 34.30 2243 2256 C 'CB' SER 288 1 1 '291' . -3.554 53.964 66.154 1.00 33.89 2244 2257 O 'OG' SER 288 1 1 '291' . -3.177 53.891 67.504 1.00 35.88 2245 2258 C 'C' SER 288 1 1 '291' . -2.709 53.224 63.931 1.00 34.17 2246 2259 O 'O' SER 288 1 1 '291' . -2.540 52.051 63.575 1.00 34.20 2247 2260 N 'N' PHE 289 1 1 '292' . -3.221 54.161 63.138 1.00 32.86 2248 2261 C 'CA' PHE 289 1 1 '292' . -3.693 53.857 61.785 1.00 31.43 2249 2262 C 'CB' PHE 289 1 1 '292' . -5.134 54.303 61.679 1.00 30.61 2250 2263 C 'CG' PHE 289 1 1 '292' . -5.988 53.648 62.696 1.00 32.38 2251 2264 C 'CD1' PHE 289 1 1 '292' . -6.345 52.290 62.544 1.00 33.33 2252 2265 C 'CD2' PHE 289 1 1 '292' . -6.357 54.325 63.856 1.00 31.00 2253 2266 C 'CE1' PHE 289 1 1 '292' . -7.068 51.610 63.559 1.00 33.14 2254 2267 C 'CE2' PHE 289 1 1 '292' . -7.065 53.665 64.869 1.00 31.22 2255 2268 C 'CZ' PHE 289 1 1 '292' . -7.416 52.297 64.712 1.00 32.14 2256 2269 C 'C' PHE 289 1 1 '292' . -2.855 54.526 60.732 1.00 29.87 2257 2270 O 'O' PHE 289 1 1 '292' . -2.922 55.738 60.525 1.00 28.87 2258 2271 N 'N' VAL 290 1 1 '293' . -2.085 53.706 60.060 1.00 27.59 2259 2272 C 'CA' VAL 290 1 1 '293' . -1.195 54.171 59.061 1.00 28.70 2260 2273 C 'CB' VAL 290 1 1 '293' . 0.273 54.030 59.606 1.00 28.48 2261 2274 C 'CG1' VAL 290 1 1 '293' . 0.526 54.975 60.810 1.00 24.34 2262 2275 C 'CG2' VAL 290 1 1 '293' . 0.520 52.570 60.011 1.00 26.77 2263 2276 C 'C' VAL 290 1 1 '293' . -1.371 53.266 57.830 1.00 30.34 2264 2277 O 'O' VAL 290 1 1 '293' . -2.107 52.284 57.877 1.00 29.51 2265 2278 N 'N' PRO 291 1 1 '294' . -0.706 53.614 56.716 1.00 31.05 2266 2279 C 'CD' PRO 291 1 1 '294' . -0.150 54.972 56.471 1.00 29.49 2267 2280 C 'CA' PRO 291 1 1 '294' . -0.761 52.830 55.477 1.00 32.24 2268 2281 C 'CB' PRO 291 1 1 '294' . 0.318 53.507 54.613 1.00 28.15 2269 2282 C 'CG' PRO 291 1 1 '294' . 0.098 54.983 54.954 1.00 30.70 2270 2283 C 'C' PRO 291 1 1 '294' . -0.452 51.319 55.735 1.00 33.73 2271 2284 O 'O' PRO 291 1 1 '294' . 0.297 50.973 56.653 1.00 34.80 2272 2285 N 'N' VAL 292 1 1 '295' . -1.017 50.443 54.916 1.00 34.09 2273 2286 C 'CA' VAL 292 1 1 '295' . -0.797 48.992 54.994 1.00 34.46 2274 2287 C 'CB' VAL 292 1 1 '295' . -2.096 48.142 55.163 1.00 35.90 2275 2288 C 'CG1' VAL 292 1 1 '295' . -2.626 48.313 56.520 1.00 39.27 2276 2289 C 'CG2' VAL 292 1 1 '295' . -3.168 48.550 54.142 1.00 37.50 2277 2290 C 'C' VAL 292 1 1 '295' . -0.194 48.515 53.709 1.00 33.83 2278 2291 O 'O' VAL 292 1 1 '295' . -0.560 48.981 52.622 1.00 32.73 2279 2292 N 'N' ILE 293 1 1 '296' . 0.745 47.590 53.853 1.00 34.49 2280 2293 C 'CA' ILE 293 1 1 '296' . 1.428 46.980 52.729 1.00 35.50 2281 2294 C 'CB' ILE 293 1 1 '296' . 2.747 46.351 53.224 1.00 34.84 2282 2295 C 'CG2' ILE 293 1 1 '296' . 3.511 45.730 52.027 1.00 35.30 2283 2296 C 'CG1' ILE 293 1 1 '296' . 3.591 47.427 53.935 1.00 33.92 2284 2297 C 'CD1' ILE 293 1 1 '296' . 3.839 48.741 53.053 1.00 31.15 2285 2298 C 'C' ILE 293 1 1 '296' . 0.352 45.951 52.303 1.00 38.24 2286 2299 O 'O' ILE 293 1 1 '296' . 0.244 44.838 52.839 1.00 38.08 2287 2300 N 'N' ASP 294 1 1 '297' . -0.493 46.374 51.368 1.00 38.31 2288 2301 C 'CA' ASP 294 1 1 '297' . -1.636 45.562 50.958 1.00 40.28 2289 2302 C 'CB' ASP 294 1 1 '297' . -2.855 46.476 50.835 1.00 38.51 2290 2303 C 'CG' ASP 294 1 1 '297' . -2.672 47.523 49.721 1.00 40.71 2291 2304 O 'OD1' ASP 294 1 1 '297' . -1.520 47.660 49.217 1.00 38.00 2292 2305 O 'OD2' ASP 294 1 1 '297' . -3.668 48.198 49.356 1.00 42.19 2293 2306 C 'C' ASP 294 1 1 '297' . -1.541 44.769 49.656 1.00 40.84 2294 2307 O 'O' ASP 294 1 1 '297' . -2.485 44.090 49.323 1.00 42.59 2295 2308 N 'N' GLY 295 1 1 '298' . -0.459 44.865 48.900 1.00 42.05 2296 2309 C 'CA' GLY 295 1 1 '298' . -0.439 44.138 47.637 1.00 42.84 2297 2310 C 'C' GLY 295 1 1 '298' . -1.131 44.876 46.467 1.00 44.69 2298 2311 O 'O' GLY 295 1 1 '298' . -1.068 44.380 45.336 1.00 46.21 2299 2312 N 'N' GLU 296 1 1 '299' . -1.801 46.016 46.716 1.00 43.63 2300 2313 C 'CA' GLU 296 1 1 '299' . -2.483 46.815 45.677 1.00 42.95 2301 2314 C 'CB' GLU 296 1 1 '299' . -3.975 46.972 46.011 1.00 47.23 2302 2315 C 'CG' GLU 296 1 1 '299' . -4.709 45.627 45.929 1.00 57.87 2303 2316 C 'CD' GLU 296 1 1 '299' . -6.123 45.632 46.530 1.00 62.73 2304 2317 O 'OE1' GLU 296 1 1 '299' . -6.478 44.606 47.191 1.00 64.05 2305 2318 O 'OE2' GLU 296 1 1 '299' . -6.868 46.644 46.331 1.00 65.80 2306 2319 C 'C' GLU 296 1 1 '299' . -1.817 48.200 45.525 1.00 40.11 2307 2320 O 'O' GLU 296 1 1 '299' . -1.135 48.448 44.534 1.00 40.22 2308 2321 N 'N' PHE 297 1 1 '300' . -2.028 49.100 46.486 1.00 37.00 2309 2322 C 'CA' PHE 297 1 1 '300' . -1.375 50.409 46.458 1.00 36.24 2310 2323 C 'CB' PHE 297 1 1 '300' . -1.801 51.227 47.687 1.00 34.41 2311 2324 C 'CG' PHE 297 1 1 '300' . -1.421 52.695 47.604 1.00 37.18 2312 2325 C 'CD1' PHE 297 1 1 '300' . -0.083 53.115 47.830 1.00 36.13 2313 2326 C 'CD2' PHE 297 1 1 '300' . -2.375 53.662 47.237 1.00 34.69 2314 2327 C 'CE1' PHE 297 1 1 '300' . 0.283 54.482 47.679 1.00 34.97 2315 2328 C 'CE2' PHE 297 1 1 '300' . -2.016 55.011 47.086 1.00 34.28 2316 2329 C 'CZ' PHE 297 1 1 '300' . -0.684 55.414 47.307 1.00 34.00 2317 2330 C 'C' PHE 297 1 1 '300' . 0.170 50.138 46.434 1.00 37.49 2318 2331 O 'O' PHE 297 1 1 '300' . 0.906 50.724 45.649 1.00 37.75 2319 2332 N 'N' PHE 298 1 1 '301' . 0.637 49.204 47.263 1.00 36.79 2320 2333 C 'CA' PHE 298 1 1 '301' . 2.058 48.819 47.312 1.00 36.48 2321 2334 C 'CB' PHE 298 1 1 '301' . 2.546 48.876 48.761 1.00 32.42 2322 2335 C 'CG' PHE 298 1 1 '301' . 2.427 50.242 49.386 1.00 31.96 2323 2336 C 'CD1' PHE 298 1 1 '301' . 3.265 51.287 48.975 1.00 30.61 2324 2337 C 'CD2' PHE 298 1 1 '301' . 1.499 50.486 50.400 1.00 31.82 2325 2338 C 'CE1' PHE 298 1 1 '301' . 3.192 52.562 49.568 1.00 30.88 2326 2339 C 'CE2' PHE 298 1 1 '301' . 1.411 51.785 51.024 1.00 31.34 2327 2340 C 'CZ' PHE 298 1 1 '301' . 2.266 52.815 50.598 1.00 30.25 2328 2341 C 'C' PHE 298 1 1 '301' . 2.011 47.358 46.789 1.00 38.03 2329 2342 O 'O' PHE 298 1 1 '301' . 1.498 46.466 47.482 1.00 37.34 2330 2343 N 'N' PRO 299 1 1 '302' . 2.534 47.097 45.571 1.00 38.64 2331 2344 C 'CD' PRO 299 1 1 '302' . 3.044 48.006 44.526 1.00 36.89 2332 2345 C 'CA' PRO 299 1 1 '302' . 2.453 45.699 45.090 1.00 40.08 2333 2346 C 'CB' PRO 299 1 1 '302' . 2.890 45.796 43.614 1.00 39.46 2334 2347 C 'CG' PRO 299 1 1 '302' . 3.727 47.065 43.591 1.00 41.39 2335 2348 C 'C' PRO 299 1 1 '302' . 3.195 44.625 45.885 1.00 39.80 2336 2349 O 'O' PRO 299 1 1 '302' . 2.717 43.506 45.975 1.00 40.00 2337 2350 N 'N' THR 300 1 1 '303' . 4.354 44.961 46.440 1.00 38.91 2338 2351 C 'CA' THR 300 1 1 '303' . 5.105 44.041 47.277 1.00 39.82 2339 2352 C 'CB' THR 300 1 1 '303' . 6.259 43.345 46.512 1.00 41.25 2340 2353 O 'OG1' THR 300 1 1 '303' . 7.244 44.306 46.136 1.00 41.69 2341 2354 C 'CG2' THR 300 1 1 '303' . 5.751 42.720 45.233 1.00 42.83 2342 2355 C 'C' THR 300 1 1 '303' . 5.693 44.869 48.430 1.00 39.76 2343 2356 O 'O' THR 300 1 1 '303' . 5.402 46.072 48.567 1.00 39.54 2344 2357 N 'N' SER 301 1 1 '304' . 6.528 44.245 49.243 1.00 37.50 2345 2358 C 'CA' SER 301 1 1 '304' . 7.108 44.964 50.360 1.00 37.18 2346 2359 C 'CB' SER 301 1 1 '304' . 8.005 44.034 51.189 1.00 37.65 2347 2360 O 'OG' SER 301 1 1 '304' . 9.197 43.775 50.482 1.00 38.98 2348 2361 C 'C' SER 301 1 1 '304' . 7.917 46.195 49.886 1.00 35.80 2349 2362 O 'O' SER 301 1 1 '304' . 8.528 46.194 48.796 1.00 34.71 2350 2363 N 'N' LEU 302 1 1 '305' . 7.921 47.237 50.715 1.00 34.55 2351 2364 C 'CA' LEU 302 1 1 '305' . 8.603 48.451 50.342 1.00 35.61 2352 2365 C 'CB' LEU 302 1 1 '305' . 8.450 49.467 51.443 1.00 33.93 2353 2366 C 'CG' LEU 302 1 1 '305' . 7.024 49.859 51.847 1.00 34.15 2354 2367 C 'CD1' LEU 302 1 1 '305' . 7.133 50.991 52.895 1.00 32.38 2355 2368 C 'CD2' LEU 302 1 1 '305' . 6.190 50.316 50.647 1.00 35.46 2356 2369 C 'C' LEU 302 1 1 '305' . 10.084 48.194 50.013 1.00 36.57 2357 2370 O 'O' LEU 302 1 1 '305' . 10.611 48.720 49.006 1.00 35.87 2358 2371 N 'N' GLU 303 1 1 '306' . 10.740 47.356 50.828 1.00 36.39 2359 2372 C 'CA' GLU 303 1 1 '306' . 12.144 47.030 50.611 1.00 36.85 2360 2373 C 'CB' GLU 303 1 1 '306' . 12.698 46.188 51.793 1.00 39.32 2361 2374 C 'CG' GLU 303 1 1 '306' . 14.178 45.819 51.667 1.00 41.61 2362 2375 C 'CD' GLU 303 1 1 '306' . 15.120 47.050 51.646 1.00 46.11 2363 2376 O 'OE1' GLU 303 1 1 '306' . 14.662 48.178 51.959 1.00 48.05 2364 2377 O 'OE2' GLU 303 1 1 '306' . 16.323 46.890 51.339 1.00 46.45 2365 2378 C 'C' GLU 303 1 1 '306' . 12.395 46.296 49.284 1.00 36.82 2366 2379 O 'O' GLU 303 1 1 '306' . 13.366 46.588 48.598 1.00 36.15 2367 2380 N 'N' SER 304 1 1 '307' . 11.545 45.345 48.892 1.00 36.22 2368 2381 C 'CA' SER 304 1 1 '307' . 11.854 44.687 47.613 1.00 37.31 2369 2382 C 'CB' SER 304 1 1 '307' . 11.080 43.373 47.442 1.00 36.10 2370 2383 O 'OG' SER 304 1 1 '307' . 9.700 43.598 47.511 1.00 42.05 2371 2384 C 'C' SER 304 1 1 '307' . 11.588 45.645 46.442 1.00 36.05 2372 2385 O 'O' SER 304 1 1 '307' . 12.268 45.586 45.423 1.00 35.14 2373 2386 N 'N' MET 305 1 1 '308' . 10.609 46.530 46.606 1.00 34.91 2374 2387 C 'CA' MET 305 1 1 '308' . 10.340 47.528 45.581 1.00 34.58 2375 2388 C 'CB' MET 305 1 1 '308' . 9.106 48.360 45.951 1.00 34.60 2376 2389 C 'CG' MET 305 1 1 '308' . 7.797 47.635 45.793 1.00 31.93 2377 2390 S 'SD' MET 305 1 1 '308' . 6.331 48.688 46.056 1.00 36.27 2378 2391 C 'CE' MET 305 1 1 '308' . 6.533 49.787 44.539 1.00 34.49 2379 2392 C 'C' MET 305 1 1 '308' . 11.566 48.434 45.471 1.00 34.03 2380 2393 O 'O' MET 305 1 1 '308' . 11.998 48.766 44.389 1.00 32.57 2381 2394 N 'N' LEU 306 1 1 '309' . 12.136 48.842 46.599 1.00 35.94 2382 2395 C 'CA' LEU 306 1 1 '309' . 13.316 49.696 46.525 1.00 38.21 2383 2396 C 'CB' LEU 306 1 1 '309' . 13.701 50.198 47.910 1.00 37.46 2384 2397 C 'CG' LEU 306 1 1 '309' . 12.712 51.273 48.396 1.00 37.59 2385 2398 C 'CD1' LEU 306 1 1 '309' . 12.940 51.474 49.868 1.00 37.16 2386 2399 C 'CD2' LEU 306 1 1 '309' . 12.889 52.601 47.596 1.00 34.62 2387 2400 C 'C' LEU 306 1 1 '309' . 14.493 48.969 45.891 1.00 40.68 2388 2401 O 'O' LEU 306 1 1 '309' . 15.223 49.546 45.072 1.00 41.55 2389 2402 N 'N' ASN 307 1 1 '310' . 14.668 47.698 46.262 1.00 41.69 2390 2403 C 'CA' ASN 307 1 1 '310' . 15.753 46.897 45.743 1.00 42.51 2391 2404 C 'CB' ASN 307 1 1 '310' . 15.833 45.532 46.440 1.00 45.21 2392 2405 C 'CG' ASN 307 1 1 '310' . 16.629 45.595 47.713 1.00 48.23 2393 2406 O 'OD1' ASN 307 1 1 '310' . 17.586 46.385 47.821 1.00 48.85 2394 2407 N 'ND2' ASN 307 1 1 '310' . 16.268 44.747 48.687 1.00 49.14 2395 2408 C 'C' ASN 307 1 1 '310' . 15.707 46.660 44.260 1.00 41.72 2396 2409 O 'O' ASN 307 1 1 '310' . 16.759 46.717 43.601 1.00 38.93 2397 2410 N 'N' SER 308 1 1 '311' . 14.498 46.408 43.740 1.00 40.98 2398 2411 C 'CA' SER 308 1 1 '311' . 14.338 46.129 42.320 1.00 40.89 2399 2412 C 'CB' SER 308 1 1 '311' . 13.195 45.123 42.092 1.00 40.89 2400 2413 O 'OG' SER 308 1 1 '311' . 11.909 45.718 42.312 1.00 44.48 2401 2414 C 'C' SER 308 1 1 '311' . 14.093 47.352 41.437 1.00 40.61 2402 2415 O 'O' SER 308 1 1 '311' . 13.853 47.207 40.224 1.00 41.64 2403 2416 N 'N' GLY 309 1 1 '312' . 14.147 48.552 42.010 1.00 39.61 2404 2417 C 'CA' GLY 309 1 1 '312' . 13.895 49.740 41.199 1.00 36.11 2405 2418 C 'C' GLY 309 1 1 '312' . 12.438 49.877 40.747 1.00 35.42 2406 2419 O 'O' GLY 309 1 1 '312' . 12.111 50.583 39.780 1.00 34.02 2407 2420 N 'N' ASN 310 1 1 '313' . 11.548 49.200 41.447 1.00 34.20 2408 2421 C 'CA' ASN 310 1 1 '313' . 10.145 49.270 41.115 1.00 34.90 2409 2422 C 'CB' ASN 310 1 1 '313' . 9.432 48.054 41.686 1.00 35.91 2410 2423 C 'CG' ASN 310 1 1 '313' . 8.006 47.957 41.217 1.00 38.63 2411 2424 O 'OD1' ASN 310 1 1 '313' . 7.563 48.777 40.408 1.00 38.64 2412 2425 N 'ND2' ASN 310 1 1 '313' . 7.274 46.959 41.717 1.00 37.88 2413 2426 C 'C' ASN 310 1 1 '313' . 9.541 50.580 41.695 1.00 34.76 2414 2427 O 'O' ASN 310 1 1 '313' . 8.869 50.584 42.750 1.00 33.32 2415 2428 N 'N' PHE 311 1 1 '314' . 9.804 51.686 41.003 1.00 33.78 2416 2429 C 'CA' PHE 311 1 1 '314' . 9.311 52.998 41.439 1.00 33.77 2417 2430 C 'CB' PHE 311 1 1 '314' . 9.947 53.418 42.805 1.00 31.86 2418 2431 C 'CG' PHE 311 1 1 '314' . 11.460 53.347 42.849 1.00 30.72 2419 2432 C 'CD1' PHE 311 1 1 '314' . 12.243 54.325 42.238 1.00 33.08 2420 2433 C 'CD2' PHE 311 1 1 '314' . 12.101 52.302 43.516 1.00 33.38 2421 2434 C 'CE1' PHE 311 1 1 '314' . 13.632 54.271 42.280 1.00 31.79 2422 2435 C 'CE2' PHE 311 1 1 '314' . 13.519 52.231 43.579 1.00 31.10 2423 2436 C 'CZ' PHE 311 1 1 '314' . 14.277 53.218 42.957 1.00 32.19 2424 2437 C 'C' PHE 311 1 1 '314' . 9.525 54.091 40.386 1.00 34.21 2425 2438 O 'O' PHE 311 1 1 '314' . 10.308 53.929 39.438 1.00 32.99 2426 2439 N 'N' LYS 312 1 1 '315' . 8.806 55.195 40.541 1.00 33.66 2427 2440 C 'CA' LYS 312 1 1 '315' . 8.949 56.262 39.594 1.00 33.21 2428 2441 C 'CB' LYS 312 1 1 '315' . 7.998 57.404 39.937 1.00 32.65 2429 2442 C 'CG' LYS 312 1 1 '315' . 7.975 58.518 38.864 1.00 31.69 2430 2443 C 'CD' LYS 312 1 1 '315' . 7.122 59.725 39.370 1.00 31.64 2431 2444 C 'CE' LYS 312 1 1 '315' . 7.023 60.831 38.330 1.00 29.94 2432 2445 N 'NZ' LYS 312 1 1 '315' . 6.282 60.322 37.123 1.00 26.65 2433 2446 C 'C' LYS 312 1 1 '315' . 10.391 56.770 39.574 1.00 34.31 2434 2447 O 'O' LYS 312 1 1 '315' . 10.997 57.039 40.637 1.00 32.76 2435 2448 N 'N' LYS 313 1 1 '316' . 10.952 56.865 38.370 1.00 33.86 2436 2449 C 'CA' LYS 313 1 1 '316' . 12.295 57.388 38.228 1.00 36.46 2437 2450 C 'CB' LYS 313 1 1 '316' . 13.083 56.567 37.218 1.00 40.20 2438 2451 C 'CG' LYS 313 1 1 '316' . 13.622 55.279 37.766 1.00 44.05 2439 2452 C 'CD' LYS 313 1 1 '316' . 12.774 54.159 37.374 1.00 48.38 2440 2453 C 'CE' LYS 313 1 1 '316' . 13.325 52.851 37.919 1.00 49.58 2441 2454 N 'NZ' LYS 313 1 1 '316' . 12.351 51.825 37.430 1.00 53.62 2442 2455 C 'C' LYS 313 1 1 '316' . 12.234 58.863 37.763 1.00 36.88 2443 2456 O 'O' LYS 313 1 1 '316' . 11.776 59.162 36.669 1.00 38.47 2444 2457 N 'N' THR 314 1 1 '317' . 12.694 59.788 38.601 1.00 35.60 2445 2458 C 'CA' THR 314 1 1 '317' . 12.653 61.192 38.267 1.00 33.61 2446 2459 C 'CB' THR 314 1 1 '317' . 11.186 61.724 38.513 1.00 31.86 2447 2460 O 'OG1' THR 314 1 1 '317' . 11.105 63.097 38.140 1.00 32.02 2448 2461 C 'CG2' THR 314 1 1 '317' . 10.771 61.534 39.999 1.00 33.12 2449 2462 C 'C' THR 314 1 1 '317' . 13.681 61.781 39.231 1.00 34.40 2450 2463 O 'O' THR 314 1 1 '317' . 14.514 61.020 39.754 1.00 35.44 2451 2464 N 'N' GLN 315 1 1 '318' . 13.639 63.092 39.460 1.00 32.39 2452 2465 C 'CA' GLN 315 1 1 '318' . 14.549 63.764 40.394 1.00 33.56 2453 2466 C 'CB' GLN 315 1 1 '318' . 14.983 65.175 39.879 1.00 33.00 2454 2467 C 'CG' GLN 315 1 1 '318' . 15.531 65.230 38.435 1.00 36.01 2455 2468 C 'CD' GLN 315 1 1 '318' . 14.407 65.172 37.349 1.00 38.13 2456 2469 O 'OE1' GLN 315 1 1 '318' . 13.301 65.655 37.569 1.00 35.57 2457 2470 N 'NE2' GLN 315 1 1 '318' . 14.710 64.572 36.187 1.00 37.35 2458 2471 C 'C' GLN 315 1 1 '318' . 13.829 63.955 41.756 1.00 33.83 2459 2472 O 'O' GLN 315 1 1 '318' . 12.597 64.076 41.828 1.00 33.94 2460 2473 N 'N' ILE 316 1 1 '319' . 14.599 63.976 42.834 1.00 32.68 2461 2474 C 'CA' ILE 316 1 1 '319' . 14.024 64.189 44.148 1.00 31.79 2462 2475 C 'CB' ILE 316 1 1 '319' . 13.817 62.846 44.956 1.00 31.01 2463 2476 C 'CG2' ILE 316 1 1 '319' . 12.778 61.951 44.247 1.00 30.61 2464 2477 C 'CG1' ILE 316 1 1 '319' . 15.154 62.121 45.147 1.00 28.95 2465 2478 C 'CD1' ILE 316 1 1 '319' . 15.122 60.944 46.105 1.00 26.84 2466 2479 C 'C' ILE 316 1 1 '319' . 14.991 65.078 44.904 1.00 31.62 2467 2480 O 'O' ILE 316 1 1 '319' . 16.196 65.078 44.628 1.00 31.03 2468 2481 N 'N' LEU 317 1 1 '320' . 14.432 65.867 45.808 1.00 30.18 2469 2482 C 'CA' LEU 317 1 1 '320' . 15.166 66.743 46.682 1.00 30.68 2470 2483 C 'CB' LEU 317 1 1 '320' . 14.968 68.187 46.262 1.00 31.11 2471 2484 C 'CG' LEU 317 1 1 '320' . 15.670 69.233 47.124 1.00 31.64 2472 2485 C 'CD1' LEU 317 1 1 '320' . 15.916 70.542 46.258 1.00 32.50 2473 2486 C 'CD2' LEU 317 1 1 '320' . 14.818 69.533 48.335 1.00 31.67 2474 2487 C 'C' LEU 317 1 1 '320' . 14.551 66.431 48.060 1.00 30.82 2475 2488 O 'O' LEU 317 1 1 '320' . 13.320 66.443 48.221 1.00 32.92 2476 2489 N 'N' LEU 318 1 1 '321' . 15.399 66.111 49.031 1.00 29.96 2477 2490 C 'CA' LEU 318 1 1 '321' . 14.941 65.720 50.350 1.00 29.29 2478 2491 C 'CB' LEU 318 1 1 '321' . 14.564 64.225 50.343 1.00 28.43 2479 2492 C 'CG' LEU 318 1 1 '321' . 15.704 63.164 50.262 1.00 29.95 2480 2493 C 'CD1' LEU 318 1 1 '321' . 15.077 61.736 50.215 1.00 25.56 2481 2494 C 'CD2' LEU 318 1 1 '321' . 16.590 63.358 48.985 1.00 26.87 2482 2495 C 'C' LEU 318 1 1 '321' . 16.027 65.988 51.394 1.00 29.44 2483 2496 O 'O' LEU 318 1 1 '321' . 17.191 66.265 51.066 1.00 30.64 2484 2497 N 'N' GLY 319 1 1 '322' . 15.637 65.907 52.659 1.00 28.97 2485 2498 C 'CA' GLY 319 1 1 '322' . 16.564 66.170 53.727 1.00 28.15 2486 2499 C 'C' GLY 319 1 1 '322' . 15.937 65.992 55.083 1.00 29.87 2487 2500 O 'O' GLY 319 1 1 '322' . 14.746 65.616 55.188 1.00 29.37 2488 2501 N 'N' VAL 320 1 1 '323' . 16.737 66.286 56.119 1.00 29.81 2489 2502 C 'CA' VAL 320 1 1 '323' . 16.322 66.123 57.488 1.00 30.51 2490 2503 C 'CB' VAL 320 1 1 '323' . 16.906 64.790 58.056 1.00 30.10 2491 2504 C 'CG1' VAL 320 1 1 '323' . 16.519 63.592 57.148 1.00 31.19 2492 2505 C 'CG2' VAL 320 1 1 '323' . 18.392 64.846 58.135 1.00 30.30 2493 2506 C 'C' VAL 320 1 1 '323' . 16.761 67.298 58.367 1.00 32.47 2494 2507 O 'O' VAL 320 1 1 '323' . 17.566 68.116 57.960 1.00 33.17 2495 2508 N 'N' ASN 321 1 1 '324' . 16.198 67.392 59.560 1.00 32.49 2496 2509 C 'CA' ASN 321 1 1 '324' . 16.592 68.420 60.526 1.00 33.58 2497 2510 C 'CB' ASN 321 1 1 '324' . 15.364 69.020 61.208 1.00 32.00 2498 2511 C 'CG' ASN 321 1 1 '324' . 14.419 69.732 60.225 1.00 31.83 2499 2512 O 'OD1' ASN 321 1 1 '324' . 14.690 69.848 59.020 1.00 29.78 2500 2513 N 'ND2' ASN 321 1 1 '324' . 13.299 70.211 60.752 1.00 30.00 2501 2514 C 'C' ASN 321 1 1 '324' . 17.513 67.766 61.590 1.00 33.21 2502 2515 O 'O' ASN 321 1 1 '324' . 17.490 66.532 61.815 1.00 32.69 2503 2516 N 'N' LYS 322 1 1 '325' . 18.296 68.593 62.266 1.00 33.74 2504 2517 C 'CA' LYS 322 1 1 '325' . 19.255 68.100 63.263 1.00 33.32 2505 2518 C 'CB' LYS 322 1 1 '325' . 20.146 69.251 63.786 1.00 35.58 2506 2519 C 'CG' LYS 322 1 1 '325' . 21.191 68.854 64.885 1.00 39.12 2507 2520 C 'CD' LYS 322 1 1 '325' . 22.182 70.010 65.267 1.00 39.78 2508 2521 C 'CE' LYS 322 1 1 '325' . 22.596 69.966 66.769 1.00 44.34 2509 2522 N 'NZ' LYS 322 1 1 '325' . 21.541 70.661 67.766 1.00 42.63 2510 2523 C 'C' LYS 322 1 1 '325' . 18.668 67.349 64.444 1.00 32.05 2511 2524 O 'O' LYS 322 1 1 '325' . 19.279 66.371 64.890 1.00 30.56 2512 2525 N 'N' ASP 323 1 1 '326' . 17.503 67.774 64.948 1.00 29.86 2513 2526 C 'CA' ASP 323 1 1 '326' . 16.938 67.099 66.131 1.00 29.65 2514 2527 C 'CB' ASP 323 1 1 '326' . 17.036 68.061 67.337 1.00 28.13 2515 2528 C 'CG' ASP 323 1 1 '326' . 18.487 68.584 67.546 1.00 30.97 2516 2529 O 'OD1' ASP 323 1 1 '326' . 19.377 67.794 67.958 1.00 29.18 2517 2530 O 'OD2' ASP 323 1 1 '326' . 18.749 69.771 67.247 1.00 30.05 2518 2531 C 'C' ASP 323 1 1 '326' . 15.502 66.600 65.912 1.00 31.36 2519 2532 O 'O' ASP 323 1 1 '326' . 14.537 66.989 66.647 1.00 32.50 2520 2533 N 'N' GLU 324 1 1 '327' . 15.357 65.761 64.890 1.00 29.70 2521 2534 C 'CA' GLU 324 1 1 '327' . 14.065 65.225 64.543 1.00 30.58 2522 2535 C 'CB' GLU 324 1 1 '327' . 14.205 64.149 63.447 1.00 29.46 2523 2536 C 'CG' GLU 324 1 1 '327' . 14.872 64.638 62.156 1.00 29.24 2524 2537 C 'CD' GLU 324 1 1 '327' . 13.953 65.499 61.303 1.00 30.91 2525 2538 O 'OE1' GLU 324 1 1 '327' . 12.911 65.972 61.826 1.00 33.22 2526 2539 O 'OE2' GLU 324 1 1 '327' . 14.260 65.724 60.111 1.00 31.49 2527 2540 C 'C' GLU 324 1 1 '327' . 13.352 64.635 65.765 1.00 30.58 2528 2541 O 'O' GLU 324 1 1 '327' . 12.148 64.845 65.913 1.00 31.49 2529 2542 N 'N' GLY 325 1 1 '328' . 14.076 63.958 66.664 1.00 29.13 2530 2543 C 'CA' GLY 325 1 1 '328' . 13.389 63.305 67.755 1.00 28.49 2531 2544 C 'C' GLY 325 1 1 '328' . 12.928 64.091 68.974 1.00 29.73 2532 2545 O 'O' GLY 325 1 1 '328' . 12.086 63.616 69.741 1.00 29.14 2533 2546 N 'N' SER 326 1 1 '329' . 13.416 65.304 69.164 1.00 30.47 2534 2547 C 'CA' SER 326 1 1 '329' . 13.101 65.954 70.425 1.00 30.74 2535 2548 C 'CB' SER 326 1 1 '329' . 13.806 67.314 70.514 1.00 30.20 2536 2549 O 'OG' SER 326 1 1 '329' . 13.251 68.260 69.629 1.00 28.75 2537 2550 C 'C' SER 326 1 1 '329' . 11.640 66.096 70.825 1.00 31.48 2538 2551 O 'O' SER 326 1 1 '329' . 11.288 65.848 72.002 1.00 30.63 2539 2552 N 'N' PHE 327 1 1 '330' . 10.750 66.450 69.898 1.00 32.43 2540 2553 C 'CA' PHE 327 1 1 '330' . 9.411 66.647 70.414 1.00 33.77 2541 2554 C 'CB' PHE 327 1 1 '330' . 8.616 67.602 69.502 1.00 36.44 2542 2555 C 'CG' PHE 327 1 1 '330' . 7.777 66.951 68.493 1.00 37.83 2543 2556 C 'CD1' PHE 327 1 1 '330' . 6.755 66.078 68.861 1.00 40.33 2544 2557 C 'CD2' PHE 327 1 1 '330' . 7.984 67.216 67.164 1.00 38.73 2545 2558 C 'CE1' PHE 327 1 1 '330' . 5.944 65.464 67.904 1.00 39.76 2546 2559 C 'CE2' PHE 327 1 1 '330' . 7.179 66.624 66.207 1.00 42.34 2547 2560 C 'CZ' PHE 327 1 1 '330' . 6.136 65.727 66.592 1.00 40.93 2548 2561 C 'C' PHE 327 1 1 '330' . 8.693 65.351 70.802 1.00 33.02 2549 2562 O 'O' PHE 327 1 1 '330' . 7.845 65.345 71.721 1.00 33.35 2550 2563 N 'N' PHE 328 1 1 '331' . 9.097 64.238 70.188 1.00 32.09 2551 2564 C 'CA' PHE 328 1 1 '331' . 8.484 62.980 70.559 1.00 32.09 2552 2565 C 'CB' PHE 328 1 1 '331' . 8.795 61.878 69.538 1.00 33.27 2553 2566 C 'CG' PHE 328 1 1 '331' . 8.312 62.206 68.158 1.00 35.35 2554 2567 C 'CD1' PHE 328 1 1 '331' . 9.066 63.066 67.323 1.00 35.09 2555 2568 C 'CD2' PHE 328 1 1 '331' . 7.071 61.733 67.710 1.00 34.05 2556 2569 C 'CE1' PHE 328 1 1 '331' . 8.588 63.456 66.037 1.00 35.29 2557 2570 C 'CE2' PHE 328 1 1 '331' . 6.591 62.117 66.432 1.00 35.58 2558 2571 C 'CZ' PHE 328 1 1 '331' . 7.346 62.972 65.593 1.00 33.18 2559 2572 C 'C' PHE 328 1 1 '331' . 8.902 62.570 71.958 1.00 31.35 2560 2573 O 'O' PHE 328 1 1 '331' . 8.151 61.888 72.632 1.00 30.53 2561 2574 N 'N' LEU 329 1 1 '332' . 10.083 62.993 72.415 1.00 30.14 2562 2575 C 'CA' LEU 329 1 1 '332' . 10.517 62.649 73.775 1.00 30.18 2563 2576 C 'CB' LEU 329 1 1 '332' . 12.043 62.809 73.917 1.00 30.74 2564 2577 C 'CG' LEU 329 1 1 '332' . 12.922 61.773 73.192 1.00 31.34 2565 2578 C 'CD1' LEU 329 1 1 '332' . 14.327 62.388 72.947 1.00 27.87 2566 2579 C 'CD2' LEU 329 1 1 '332' . 12.981 60.508 74.029 1.00 27.76 2567 2580 C 'C' LEU 329 1 1 '332' . 9.796 63.580 74.767 1.00 31.54 2568 2581 O 'O' LEU 329 1 1 '332' . 9.372 63.150 75.832 1.00 32.07 2569 2582 N 'N' LEU 330 1 1 '333' . 9.667 64.860 74.415 1.00 32.10 2570 2583 C 'CA' LEU 330 1 1 '333' . 8.957 65.835 75.257 1.00 33.31 2571 2584 C 'CB' LEU 330 1 1 '333' . 8.760 67.166 74.506 1.00 30.55 2572 2585 C 'CG' LEU 330 1 1 '333' . 7.806 68.143 75.207 1.00 33.44 2573 2586 C 'CD1' LEU 330 1 1 '333' . 8.348 68.374 76.685 1.00 31.33 2574 2587 C 'CD2' LEU 330 1 1 '333' . 7.713 69.520 74.396 1.00 30.81 2575 2588 C 'C' LEU 330 1 1 '333' . 7.569 65.306 75.577 1.00 34.33 2576 2589 O 'O' LEU 330 1 1 '333' . 7.135 65.261 76.733 1.00 33.85 2577 2590 N 'N' TYR 331 1 1 '334' . 6.872 64.920 74.515 1.00 36.20 2578 2591 C 'CA' TYR 331 1 1 '334' . 5.514 64.435 74.643 1.00 38.10 2579 2592 C 'CB' TYR 331 1 1 '334' . 4.764 64.522 73.298 1.00 36.96 2580 2593 C 'CG' TYR 331 1 1 '334' . 4.248 65.895 72.949 1.00 35.65 2581 2594 C 'CD1' TYR 331 1 1 '334' . 5.119 66.904 72.561 1.00 35.02 2582 2595 C 'CE1' TYR 331 1 1 '334' . 4.638 68.173 72.202 1.00 34.85 2583 2596 C 'CD2' TYR 331 1 1 '334' . 2.870 66.185 72.981 1.00 34.10 2584 2597 C 'CE2' TYR 331 1 1 '334' . 2.377 67.473 72.621 1.00 33.01 2585 2598 C 'CZ' TYR 331 1 1 '334' . 3.265 68.448 72.235 1.00 33.57 2586 2599 O 'OH' TYR 331 1 1 '334' . 2.832 69.710 71.890 1.00 30.42 2587 2600 C 'C' TYR 331 1 1 '334' . 5.385 63.005 75.175 1.00 40.43 2588 2601 O 'O' TYR 331 1 1 '334' . 4.366 62.670 75.769 1.00 45.60 2589 2602 N 'N' GLY 332 1 1 '335' . 6.377 62.154 75.027 1.00 38.73 2590 2603 C 'CA' GLY 332 1 1 '335' . 6.117 60.828 75.525 1.00 39.92 2591 2604 C 'C' GLY 332 1 1 '335' . 7.115 60.074 76.384 1.00 40.06 2592 2605 O 'O' GLY 332 1 1 '335' . 6.823 58.939 76.713 1.00 41.91 2593 2606 N 'N' ALA 333 1 1 '336' . 8.259 60.643 76.742 1.00 37.25 2594 2607 C 'CA' ALA 333 1 1 '336' . 9.216 59.893 77.537 1.00 36.58 2595 2608 C 'CB' ALA 333 1 1 '336' . 10.539 59.770 76.791 1.00 32.43 2596 2609 C 'C' ALA 333 1 1 '336' . 9.433 60.499 78.923 1.00 37.88 2597 2610 O 'O' ALA 333 1 1 '336' . 9.518 61.713 79.077 1.00 38.73 2598 2611 N 'N' PRO 334 1 1 '337' . 9.555 59.653 79.956 1.00 38.70 2599 2612 C 'CD' PRO 334 1 1 '337' . 9.818 58.206 79.887 1.00 39.73 2600 2613 C 'CA' PRO 334 1 1 '337' . 9.753 60.165 81.315 1.00 38.53 2601 2614 C 'CB' PRO 334 1 1 '337' . 9.758 58.895 82.170 1.00 39.36 2602 2615 C 'CG' PRO 334 1 1 '337' . 10.528 57.935 81.234 1.00 41.52 2603 2616 C 'C' PRO 334 1 1 '337' . 11.034 60.957 81.475 1.00 38.92 2604 2617 O 'O' PRO 334 1 1 '337' . 12.094 60.582 80.933 1.00 40.01 2605 2618 N 'N' GLY 335 1 1 '338' . 10.919 62.064 82.217 1.00 37.77 2606 2619 C 'CA' GLY 335 1 1 '338' . 12.058 62.921 82.504 1.00 35.98 2607 2620 C 'C' GLY 335 1 1 '338' . 12.202 64.141 81.618 1.00 35.56 2608 2621 O 'O' GLY 335 1 1 '338' . 13.057 65.016 81.841 1.00 36.96 2609 2622 N 'N' PHE 336 1 1 '339' . 11.395 64.197 80.585 1.00 33.56 2610 2623 C 'CA' PHE 336 1 1 '339' . 11.467 65.319 79.651 1.00 34.21 2611 2624 C 'CB' PHE 336 1 1 '339' . 11.340 64.816 78.206 1.00 31.76 2612 2625 C 'CG' PHE 336 1 1 '339' . 12.569 64.134 77.694 1.00 31.94 2613 2626 C 'CD1' PHE 336 1 1 '339' . 13.543 64.874 77.037 1.00 30.48 2614 2627 C 'CD2' PHE 336 1 1 '339' . 12.735 62.739 77.848 1.00 30.50 2615 2628 C 'CE1' PHE 336 1 1 '339' . 14.698 64.247 76.513 1.00 29.30 2616 2629 C 'CE2' PHE 336 1 1 '339' . 13.858 62.105 77.333 1.00 32.59 2617 2630 C 'CZ' PHE 336 1 1 '339' . 14.853 62.884 76.651 1.00 30.48 2618 2631 C 'C' PHE 336 1 1 '339' . 10.331 66.272 79.905 1.00 35.07 2619 2632 O 'O' PHE 336 1 1 '339' . 9.191 65.819 80.091 1.00 36.49 2620 2633 N 'N' SER 337 1 1 '340' . 10.602 67.571 79.901 1.00 34.58 2621 2634 C 'CA' SER 337 1 1 '340' . 9.494 68.496 80.098 1.00 35.77 2622 2635 C 'CB' SER 337 1 1 '340' . 9.156 68.657 81.590 1.00 36.32 2623 2636 O 'OG' SER 337 1 1 '340' . 10.258 69.113 82.332 1.00 40.41 2624 2637 C 'C' SER 337 1 1 '340' . 9.788 69.819 79.400 1.00 36.57 2625 2638 O 'O' SER 337 1 1 '340' . 10.950 70.145 79.107 1.00 35.19 2626 2639 N 'N' LYS 338 1 1 '341' . 8.721 70.552 79.086 1.00 35.46 2627 2640 C 'CA' LYS 338 1 1 '341' . 8.885 71.752 78.334 1.00 36.22 2628 2641 C 'CB' LYS 338 1 1 '341' . 7.520 72.303 77.905 1.00 36.46 2629 2642 C 'CG' LYS 338 1 1 '341' . 7.685 73.551 76.988 1.00 37.09 2630 2643 C 'CD' LYS 338 1 1 '341' . 6.380 74.010 76.274 1.00 37.36 2631 2644 C 'CE' LYS 338 1 1 '341' . 5.610 74.972 77.139 1.00 37.02 2632 2645 N 'NZ' LYS 338 1 1 '341' . 6.505 76.051 77.788 1.00 38.85 2633 2646 C 'C' LYS 338 1 1 '341' . 9.686 72.857 78.988 1.00 36.25 2634 2647 O 'O' LYS 338 1 1 '341' . 10.480 73.536 78.327 1.00 34.28 2635 2648 N 'N' ASP 339 1 1 '342' . 9.483 73.023 80.284 1.00 35.92 2636 2649 C 'CA' ASP 339 1 1 '342' . 10.137 74.101 81.001 1.00 37.67 2637 2650 C 'CB' ASP 339 1 1 '342' . 9.132 74.791 81.925 1.00 37.83 2638 2651 C 'CG' ASP 339 1 1 '342' . 7.859 75.245 81.196 1.00 39.77 2639 2652 O 'OD1' ASP 339 1 1 '342' . 7.855 75.448 79.952 1.00 37.95 2640 2653 O 'OD2' ASP 339 1 1 '342' . 6.842 75.400 81.911 1.00 41.32 2641 2654 C 'C' ASP 339 1 1 '342' . 11.409 73.771 81.785 1.00 37.38 2642 2655 O 'O' ASP 339 1 1 '342' . 11.793 74.515 82.688 1.00 34.80 2643 2656 N 'N' SER 340 1 1 '343' . 12.052 72.648 81.493 1.00 37.60 2644 2657 C 'CA' SER 340 1 1 '343' . 13.311 72.401 82.183 1.00 39.01 2645 2658 C 'CB' SER 340 1 1 '343' . 13.195 71.335 83.263 1.00 39.14 2646 2659 O 'OG' SER 340 1 1 '343' . 13.284 70.062 82.716 1.00 44.12 2647 2660 C 'C' SER 340 1 1 '343' . 14.274 71.970 81.095 1.00 40.09 2648 2661 O 'O' SER 340 1 1 '343' . 13.838 71.675 79.967 1.00 37.84 2649 2662 N 'N' GLU 341 1 1 '344' . 15.562 71.973 81.425 1.00 39.53 2650 2663 C 'CA' GLU 341 1 1 '344' . 16.584 71.604 80.481 1.00 40.99 2651 2664 C 'CB' GLU 341 1 1 '344' . 17.970 71.980 81.027 1.00 42.61 2652 2665 C 'CG' GLU 341 1 1 '344' . 18.356 73.469 80.818 1.00 47.83 2653 2666 C 'CD' GLU 341 1 1 '344' . 19.856 73.724 81.035 1.00 49.51 2654 2667 O 'OE1' GLU 341 1 1 '344' . 20.399 73.126 82.001 1.00 53.86 2655 2669 C 'C' GLU 341 1 1 '344' . 16.517 70.094 80.185 1.00 40.74 2656 2670 O 'O' GLU 341 1 1 '344' . 17.220 69.601 79.306 1.00 39.84 2657 2671 N 'N' SER 342 1 1 '345' . 15.697 69.375 80.954 1.00 38.86 2658 2672 C 'CA' SER 342 1 1 '345' . 15.495 67.949 80.751 1.00 39.57 2659 2673 C 'CB' SER 342 1 1 '345' . 14.768 67.697 79.419 1.00 38.17 2660 2674 O 'OG' SER 342 1 1 '345' . 13.483 68.272 79.365 1.00 39.82 2661 2675 C 'C' SER 342 1 1 '345' . 16.751 67.061 80.767 1.00 40.51 2662 2676 O 'O' SER 342 1 1 '345' . 16.954 66.243 79.852 1.00 40.47 2663 2677 N 'N' LYS 343 1 1 '346' . 17.553 67.183 81.813 1.00 41.79 2664 2678 C 'CA' LYS 343 1 1 '346' . 18.746 66.372 81.959 1.00 42.81 2665 2679 C 'CB' LYS 343 1 1 '346' . 19.666 66.989 82.984 1.00 44.28 2666 2680 C 'CG' LYS 343 1 1 '346' . 20.284 68.329 82.516 1.00 46.68 2667 2681 C 'CD' LYS 343 1 1 '346' . 21.147 68.889 83.668 1.00 50.87 2668 2682 C 'CE' LYS 343 1 1 '346' . 21.609 70.352 83.494 1.00 54.12 2669 2683 N 'NZ' LYS 343 1 1 '346' . 22.312 70.774 84.778 1.00 55.09 2670 2684 C 'C' LYS 343 1 1 '346' . 18.193 65.027 82.396 1.00 42.93 2671 2685 O 'O' LYS 343 1 1 '346' . 17.392 64.925 83.314 1.00 43.16 2672 2686 N 'N' ILE 344 1 1 '347' . 18.626 63.994 81.706 1.00 41.68 2673 2687 C 'CA' ILE 344 1 1 '347' . 18.101 62.654 81.887 1.00 42.93 2674 2688 C 'CB' ILE 344 1 1 '347' . 17.867 62.051 80.417 1.00 43.62 2675 2689 C 'CG2' ILE 344 1 1 '347' . 17.501 60.572 80.424 1.00 43.65 2676 2690 C 'CG1' ILE 344 1 1 '347' . 16.766 62.855 79.713 1.00 44.58 2677 2691 C 'CD1' ILE 344 1 1 '347' . 15.499 62.965 80.536 1.00 43.98 2678 2692 C 'C' ILE 344 1 1 '347' . 19.013 61.744 82.727 1.00 41.71 2679 2693 O 'O' ILE 344 1 1 '347' . 20.201 61.674 82.473 1.00 41.10 2680 2694 N 'N' SER 345 1 1 '348' . 18.441 61.044 83.698 1.00 41.23 2681 2695 C 'CA' SER 345 1 1 '348' . 19.209 60.097 84.518 1.00 44.86 2682 2696 C 'CB' SER 345 1 1 '348' . 18.402 59.688 85.757 1.00 44.05 2683 2697 O 'OG' SER 345 1 1 '348' . 17.236 58.970 85.407 1.00 44.02 2684 2698 C 'C' SER 345 1 1 '348' . 19.496 58.853 83.658 1.00 45.47 2685 2699 O 'O' SER 345 1 1 '348' . 18.944 58.708 82.581 1.00 46.95 2686 2700 N 'N' ARG 346 1 1 '349' . 20.384 57.983 84.093 1.00 46.48 2687 2701 C 'CA' ARG 346 1 1 '349' . 20.647 56.796 83.324 1.00 48.49 2688 2702 C 'CB' ARG 346 1 1 '349' . 21.777 55.970 83.926 1.00 50.04 2689 2703 C 'CG' ARG 346 1 1 '349' . 23.161 56.478 83.621 1.00 54.01 2690 2704 C 'CD' ARG 346 1 1 '349' . 23.428 56.673 82.122 1.00 53.80 2691 2705 N 'NE' ARG 346 1 1 '349' . 23.528 55.430 81.385 1.00 49.91 2692 2706 C 'CZ' ARG 346 1 1 '349' . 23.568 55.360 80.058 1.00 49.72 2693 2707 N 'NH1' ARG 346 1 1 '349' . 23.539 56.472 79.320 1.00 48.38 2694 2708 N 'NH2' ARG 346 1 1 '349' . 23.568 54.167 79.464 1.00 48.72 2695 2709 C 'C' ARG 346 1 1 '349' . 19.396 55.942 83.352 1.00 49.34 2696 2710 O 'O' ARG 346 1 1 '349' . 19.161 55.186 82.415 1.00 50.32 2697 2711 N 'N' GLU 347 1 1 '350' . 18.602 56.032 84.424 1.00 49.12 2698 2712 C 'CA' GLU 347 1 1 '350' . 17.399 55.218 84.479 1.00 49.49 2699 2713 C 'CB' GLU 347 1 1 '350' . 16.702 55.251 85.853 1.00 50.02 2700 2714 C 'CG' GLU 347 1 1 '350' . 17.547 54.714 87.028 1.00 55.66 2701 2718 C 'C' GLU 347 1 1 '350' . 16.424 55.688 83.415 1.00 49.03 2702 2719 O 'O' GLU 347 1 1 '350' . 15.851 54.854 82.698 1.00 47.87 2703 2720 N 'N' ASP 348 1 1 '351' . 16.221 57.008 83.309 1.00 48.36 2704 2721 C 'CA' ASP 348 1 1 '351' . 15.284 57.525 82.312 1.00 47.23 2705 2722 C 'CB' ASP 348 1 1 '351' . 14.934 58.990 82.599 1.00 48.71 2706 2723 C 'CG' ASP 348 1 1 '351' . 13.901 59.129 83.729 1.00 50.12 2707 2724 O 'OD1' ASP 348 1 1 '351' . 13.194 58.140 84.034 1.00 50.37 2708 2725 O 'OD2' ASP 348 1 1 '351' . 13.780 60.234 84.296 1.00 50.82 2709 2726 C 'C' ASP 348 1 1 '351' . 15.805 57.325 80.877 1.00 45.80 2710 2727 O 'O' ASP 348 1 1 '351' . 15.039 57.161 79.936 1.00 45.08 2711 2728 N 'N' PHE 349 1 1 '352' . 17.113 57.300 80.717 1.00 43.76 2712 2729 C 'CA' PHE 349 1 1 '352' . 17.681 57.054 79.400 1.00 42.62 2713 2730 C 'CB' PHE 349 1 1 '352' . 19.195 57.098 79.469 1.00 39.47 2714 2731 C 'CG' PHE 349 1 1 '352' . 19.863 56.799 78.185 1.00 37.53 2715 2732 C 'CD1' PHE 349 1 1 '352' . 20.031 57.796 77.225 1.00 34.68 2716 2733 C 'CD2' PHE 349 1 1 '352' . 20.328 55.510 77.925 1.00 35.00 2717 2734 C 'CE1' PHE 349 1 1 '352' . 20.656 57.513 76.019 1.00 32.88 2718 2735 C 'CE2' PHE 349 1 1 '352' . 20.947 55.213 76.741 1.00 36.02 2719 2736 C 'CZ' PHE 349 1 1 '352' . 21.121 56.214 75.772 1.00 34.73 2720 2737 C 'C' PHE 349 1 1 '352' . 17.263 55.657 78.974 1.00 43.52 2721 2738 O 'O' PHE 349 1 1 '352' . 16.797 55.425 77.839 1.00 41.99 2722 2739 N 'N' MET 350 1 1 '353' . 17.424 54.715 79.889 1.00 44.59 2723 2740 C 'CA' MET 350 1 1 '353' . 17.111 53.345 79.536 1.00 46.79 2724 2741 C 'CB' MET 350 1 1 '353' . 17.729 52.380 80.538 1.00 50.08 2725 2742 C 'CG' MET 350 1 1 '353' . 19.237 52.277 80.300 1.00 54.07 2726 2743 S 'SD' MET 350 1 1 '353' . 19.934 50.873 81.152 1.00 62.99 2727 2744 C 'CE' MET 350 1 1 '353' . 19.673 51.431 82.892 1.00 54.11 2728 2745 C 'C' MET 350 1 1 '353' . 15.645 53.077 79.320 1.00 45.76 2729 2746 O 'O' MET 350 1 1 '353' . 15.292 52.329 78.394 1.00 43.96 2730 2747 N 'N' SER 351 1 1 '354' . 14.779 53.680 80.128 1.00 43.87 2731 2748 C 'CA' SER 351 1 1 '354' . 13.380 53.439 79.854 1.00 44.61 2732 2749 C 'CB' SER 351 1 1 '354' . 12.518 53.835 81.067 1.00 44.49 2733 2750 O 'OG' SER 351 1 1 '354' . 12.658 55.181 81.379 1.00 49.89 2734 2751 C 'C' SER 351 1 1 '354' . 13.020 54.180 78.489 1.00 43.82 2735 2752 O 'O' SER 351 1 1 '354' . 12.163 53.704 77.708 1.00 43.40 2736 2753 N 'N' GLY 352 1 1 '355' . 13.755 55.266 78.182 1.00 41.60 2737 2754 C 'CA' GLY 352 1 1 '355' . 13.628 55.997 76.919 1.00 38.39 2738 2755 C 'C' GLY 352 1 1 '355' . 14.032 55.126 75.708 1.00 37.35 2739 2756 O 'O' GLY 352 1 1 '355' . 13.344 55.137 74.669 1.00 35.30 2740 2757 N 'N' VAL 353 1 1 '356' . 15.117 54.348 75.812 1.00 36.54 2741 2758 C 'CA' VAL 353 1 1 '356' . 15.448 53.531 74.662 1.00 37.52 2742 2759 C 'CB' VAL 353 1 1 '356' . 16.956 52.948 74.620 1.00 37.47 2743 2760 C 'CG1' VAL 353 1 1 '356' . 17.874 53.691 75.540 1.00 34.08 2744 2761 C 'CG2' VAL 353 1 1 '356' . 16.970 51.492 74.762 1.00 36.24 2745 2762 C 'C' VAL 353 1 1 '356' . 14.439 52.420 74.431 1.00 37.28 2746 2763 O 'O' VAL 353 1 1 '356' . 14.154 52.094 73.281 1.00 37.11 2747 2764 N 'N' LYS 354 1 1 '357' . 13.888 51.871 75.509 1.00 38.20 2748 2765 C 'CA' LYS 354 1 1 '357' . 12.853 50.811 75.438 1.00 39.65 2749 2766 C 'CB' LYS 354 1 1 '357' . 12.474 50.398 76.869 1.00 40.45 2750 2767 C 'CG' LYS 354 1 1 '357' . 11.397 49.331 76.953 1.00 44.92 2751 2768 C 'CD' LYS 354 1 1 '357' . 11.719 48.164 76.009 1.00 47.52 2752 2769 C 'CE' LYS 354 1 1 '357' . 10.925 46.911 76.332 1.00 50.28 2753 2770 N 'NZ' LYS 354 1 1 '357' . 9.516 47.250 76.678 1.00 53.69 2754 2771 C 'C' LYS 354 1 1 '357' . 11.595 51.353 74.662 1.00 38.85 2755 2772 O 'O' LYS 354 1 1 '357' . 11.058 50.719 73.741 1.00 38.77 2756 2773 N 'N' LEU 355 1 1 '358' . 11.185 52.555 75.028 1.00 37.03 2757 2774 C 'CA' LEU 355 1 1 '358' . 10.093 53.243 74.406 1.00 37.51 2758 2775 C 'CB' LEU 355 1 1 '358' . 9.877 54.532 75.167 1.00 36.88 2759 2776 C 'CG' LEU 355 1 1 '358' . 8.611 54.872 75.939 1.00 39.91 2760 2777 C 'CD1' LEU 355 1 1 '358' . 7.815 53.641 76.462 1.00 37.80 2761 2778 C 'CD2' LEU 355 1 1 '358' . 9.063 55.835 77.049 1.00 36.80 2762 2779 C 'C' LEU 355 1 1 '358' . 10.387 53.556 72.917 1.00 38.61 2763 2780 O 'O' LEU 355 1 1 '358' . 9.460 53.517 72.075 1.00 38.84 2764 2781 N 'N' SER 356 1 1 '359' . 11.662 53.843 72.581 1.00 36.30 2765 2782 C 'CA' SER 356 1 1 '359' . 12.029 54.227 71.219 1.00 33.56 2766 2783 C 'CB' SER 356 1 1 '359' . 13.304 55.053 71.227 1.00 34.53 2767 2784 O 'OG' SER 356 1 1 '359' . 13.236 56.125 72.149 1.00 35.02 2768 2785 C 'C' SER 356 1 1 '359' . 12.195 53.103 70.224 1.00 34.49 2769 2786 O 'O' SER 356 1 1 '359' . 12.055 53.314 69.033 1.00 32.44 2770 2787 N 'N' VAL 357 1 1 '360' . 12.473 51.898 70.690 1.00 34.71 2771 2788 C 'CA' VAL 357 1 1 '360' . 12.669 50.806 69.730 1.00 38.31 2772 2789 C 'CB' VAL 357 1 1 '360' . 14.155 50.376 69.712 1.00 38.55 2773 2790 C 'CG1' VAL 357 1 1 '360' . 14.401 49.397 68.578 1.00 38.06 2774 2791 C 'CG2' VAL 357 1 1 '360' . 15.052 51.629 69.591 1.00 37.78 2775 2792 C 'C' VAL 357 1 1 '360' . 11.823 49.722 70.328 1.00 39.99 2776 2793 O 'O' VAL 357 1 1 '360' . 12.340 48.679 70.764 1.00 37.84 2777 2794 N 'N' PRO 358 1 1 '361' . 10.492 49.952 70.333 1.00 41.75 2778 2795 C 'CD' PRO 358 1 1 '361' . 9.883 50.962 69.440 1.00 40.83 2779 2796 C 'CA' PRO 358 1 1 '361' . 9.468 49.062 70.897 1.00 43.74 2780 2797 C 'CB' PRO 358 1 1 '361' . 8.172 49.778 70.537 1.00 43.29 2781 2798 C 'CG' PRO 358 1 1 '361' . 8.491 50.463 69.247 1.00 40.82 2782 2799 C 'C' PRO 358 1 1 '361' . 9.503 47.601 70.495 1.00 46.52 2783 2800 O 'O' PRO 358 1 1 '361' . 9.240 46.712 71.307 1.00 46.12 2784 2801 N 'N' HIS 359 1 1 '362' . 9.876 47.369 69.245 1.00 50.09 2785 2802 C 'CA' HIS 359 1 1 '362' . 9.964 46.027 68.681 1.00 54.15 2786 2803 C 'CB' HIS 359 1 1 '362' . 9.815 46.133 67.141 1.00 57.89 2787 2804 C 'CG' HIS 359 1 1 '362' . 10.808 47.070 66.493 1.00 62.19 2788 2805 C 'CD2' HIS 359 1 1 '362' . 11.923 46.820 65.755 1.00 62.37 2789 2806 N 'ND1' HIS 359 1 1 '362' . 10.691 48.450 66.552 1.00 62.37 2790 2807 C 'CE1' HIS 359 1 1 '362' . 11.686 49.003 65.876 1.00 62.65 2791 2808 N 'NE2' HIS 359 1 1 '362' . 12.447 48.038 65.380 1.00 62.99 2792 2809 C 'C' HIS 359 1 1 '362' . 11.266 45.231 69.025 1.00 53.50 2793 2810 O 'O' HIS 359 1 1 '362' . 11.434 44.102 68.552 1.00 53.02 2794 2811 N 'N' ALA 360 1 1 '363' . 12.158 45.790 69.851 1.00 51.08 2795 2812 C 'CA' ALA 360 1 1 '363' . 13.421 45.107 70.148 1.00 48.94 2796 2813 C 'CB' ALA 360 1 1 '363' . 14.556 46.159 70.252 1.00 46.19 2797 2814 C 'C' ALA 360 1 1 '363' . 13.488 44.195 71.377 1.00 47.80 2798 2815 O 'O' ALA 360 1 1 '363' . 12.883 44.484 72.390 1.00 47.68 2799 2816 N 'N' ASN 361 1 1 '364' . 14.241 43.095 71.278 1.00 47.35 2800 2817 C 'CA' ASN 361 1 1 '364' . 14.467 42.221 72.444 1.00 46.09 2801 2818 C 'CB' ASN 361 1 1 '364' . 14.943 40.812 72.058 1.00 45.69 2802 2819 C 'CG' ASN 361 1 1 '364' . 16.128 40.811 71.098 1.00 46.56 2803 2820 O 'OD1' ASN 361 1 1 '364' . 16.952 41.744 71.067 1.00 45.49 2804 2821 N 'ND2' ASN 361 1 1 '364' . 16.218 39.755 70.304 1.00 44.39 2805 2822 C 'C' ASN 361 1 1 '364' . 15.554 42.880 73.316 1.00 46.22 2806 2823 O 'O' ASN 361 1 1 '364' . 16.077 43.968 72.974 1.00 45.91 2807 2824 N 'N' ASP 362 1 1 '365' . 15.884 42.233 74.434 1.00 44.77 2808 2825 C 'CA' ASP 362 1 1 '365' . 16.864 42.749 75.360 1.00 45.29 2809 2826 C 'CB' ASP 362 1 1 '365' . 16.981 41.839 76.569 1.00 50.51 2810 2827 C 'CG' ASP 362 1 1 '365' . 15.824 42.021 77.558 1.00 57.16 2811 2828 O 'OD1' ASP 362 1 1 '365' . 14.772 42.650 77.193 1.00 58.80 2812 2829 O 'OD2' ASP 362 1 1 '365' . 15.970 41.517 78.714 1.00 60.67 2813 2830 C 'C' ASP 362 1 1 '365' . 18.250 42.965 74.754 1.00 44.53 2814 2831 O 'O' ASP 362 1 1 '365' . 18.924 43.958 75.083 1.00 43.84 2815 2832 N 'N' LEU 363 1 1 '366' . 18.677 42.039 73.898 1.00 40.93 2816 2833 C 'CA' LEU 363 1 1 '366' . 19.962 42.135 73.246 1.00 39.98 2817 2834 C 'CB' LEU 363 1 1 '366' . 20.215 40.889 72.405 1.00 39.04 2818 2835 C 'CG' LEU 363 1 1 '366' . 21.576 40.961 71.733 1.00 41.64 2819 2836 C 'CD1' LEU 363 1 1 '366' . 22.688 40.842 72.782 1.00 38.61 2820 2837 C 'CD2' LEU 363 1 1 '366' . 21.678 39.860 70.713 1.00 41.52 2821 2838 C 'C' LEU 363 1 1 '366' . 19.971 43.405 72.341 1.00 39.38 2822 2839 O 'O' LEU 363 1 1 '366' . 20.961 44.135 72.291 1.00 38.24 2823 2840 N 'N' GLY 364 1 1 '367' . 18.865 43.636 71.630 1.00 37.86 2824 2841 C 'CA' GLY 364 1 1 '367' . 18.721 44.804 70.777 1.00 36.26 2825 2842 C 'C' GLY 364 1 1 '367' . 18.750 46.094 71.603 1.00 35.73 2826 2843 O 'O' GLY 364 1 1 '367' . 19.416 47.063 71.221 1.00 35.75 2827 2844 N 'N' LEU 365 1 1 '368' . 18.052 46.110 72.734 1.00 34.45 2828 2845 C 'CA' LEU 365 1 1 '368' . 18.077 47.282 73.593 1.00 35.95 2829 2846 C 'CB' LEU 365 1 1 '368' . 17.111 47.142 74.781 1.00 35.03 2830 2847 C 'CG' LEU 365 1 1 '368' . 15.648 46.952 74.346 1.00 36.39 2831 2848 C 'CD1' LEU 365 1 1 '368' . 14.787 46.826 75.603 1.00 35.23 2832 2849 C 'CD2' LEU 365 1 1 '368' . 15.172 48.130 73.457 1.00 35.83 2833 2850 C 'C' LEU 365 1 1 '368' . 19.493 47.544 74.092 1.00 37.39 2834 2851 O 'O' LEU 365 1 1 '368' . 19.896 48.733 74.196 1.00 38.94 2835 2852 N 'N' ASP 366 1 1 '369' . 20.259 46.470 74.379 1.00 37.06 2836 2853 C 'CA' ASP 366 1 1 '369' . 21.651 46.625 74.819 1.00 37.81 2837 2854 C 'CB' ASP 366 1 1 '369' . 22.292 45.295 75.267 1.00 41.70 2838 2855 C 'CG' ASP 366 1 1 '369' . 21.802 44.822 76.608 1.00 44.88 2839 2856 O 'OD1' ASP 366 1 1 '369' . 21.238 45.643 77.375 1.00 46.51 2840 2857 O 'OD2' ASP 366 1 1 '369' . 21.992 43.616 76.893 1.00 46.42 2841 2858 C 'C' ASP 366 1 1 '369' . 22.513 47.192 73.649 1.00 36.89 2842 2859 O 'O' ASP 366 1 1 '369' . 23.397 48.041 73.863 1.00 36.08 2843 2860 N 'N' ALA 367 1 1 '370' . 22.262 46.732 72.425 1.00 35.26 2844 2861 C 'CA' ALA 367 1 1 '370' . 23.044 47.238 71.289 1.00 34.47 2845 2862 C 'CB' ALA 367 1 1 '370' . 22.742 46.451 70.018 1.00 30.13 2846 2863 C 'C' ALA 367 1 1 '370' . 22.759 48.735 71.090 1.00 33.38 2847 2864 O 'O' ALA 367 1 1 '370' . 23.673 49.474 70.842 1.00 34.25 2848 2865 N 'N' VAL 368 1 1 '371' . 21.516 49.189 71.235 1.00 32.80 2849 2866 C 'CA' VAL 368 1 1 '371' . 21.247 50.622 71.042 1.00 31.59 2850 2867 C 'CB' VAL 368 1 1 '371' . 19.685 50.957 71.050 1.00 31.28 2851 2868 C 'CG1' VAL 368 1 1 '371' . 19.461 52.468 71.104 1.00 27.58 2852 2869 C 'CG2' VAL 368 1 1 '371' . 18.982 50.324 69.821 1.00 29.91 2853 2870 C 'C' VAL 368 1 1 '371' . 21.918 51.419 72.164 1.00 32.31 2854 2871 O 'O' VAL 368 1 1 '371' . 22.612 52.402 71.900 1.00 32.80 2855 2872 N 'N' THR 369 1 1 '372' . 21.679 51.000 73.408 1.00 33.50 2856 2873 C 'CA' THR 369 1 1 '372' . 22.234 51.639 74.590 1.00 34.86 2857 2874 C 'CB' THR 369 1 1 '372' . 21.855 50.846 75.864 1.00 37.19 2858 2875 O 'OG1' THR 369 1 1 '372' . 20.421 50.870 76.011 1.00 38.42 2859 2876 C 'CG2' THR 369 1 1 '372' . 22.552 51.436 77.125 1.00 29.57 2860 2877 C 'C' THR 369 1 1 '372' . 23.768 51.794 74.509 1.00 36.67 2861 2878 O 'O' THR 369 1 1 '372' . 24.295 52.883 74.703 1.00 36.30 2862 2879 N 'N' LEU 370 1 1 '373' . 24.467 50.723 74.173 1.00 36.32 2863 2880 C 'CA' LEU 370 1 1 '373' . 25.904 50.798 74.031 1.00 37.72 2864 2881 C 'CB' LEU 370 1 1 '373' . 26.461 49.431 73.665 1.00 39.28 2865 2882 C 'CG' LEU 370 1 1 '373' . 27.901 49.493 73.199 1.00 42.55 2866 2883 C 'CD1' LEU 370 1 1 '373' . 28.762 48.582 74.024 1.00 45.08 2867 2884 C 'CD2' LEU 370 1 1 '373' . 27.949 49.077 71.739 1.00 47.12 2868 2885 C 'C' LEU 370 1 1 '373' . 26.331 51.800 72.951 1.00 39.30 2869 2886 O 'O' LEU 370 1 1 '373' . 27.278 52.569 73.155 1.00 38.25 2870 2887 N 'N' GLN 371 1 1 '374' . 25.627 51.781 71.811 1.00 37.51 2871 2888 C 'CA' GLN 371 1 1 '374' . 25.932 52.656 70.675 1.00 38.35 2872 2889 C 'CB' GLN 371 1 1 '374' . 25.000 52.302 69.505 1.00 39.61 2873 2890 C 'CG' GLN 371 1 1 '374' . 25.382 52.905 68.188 1.00 42.98 2874 2891 C 'CD' GLN 371 1 1 '374' . 26.543 52.174 67.500 1.00 45.89 2875 2892 O 'OE1' GLN 371 1 1 '374' . 26.973 52.594 66.424 1.00 47.44 2876 2893 N 'NE2' GLN 371 1 1 '374' . 27.055 51.084 68.117 1.00 46.36 2877 2894 C 'C' GLN 371 1 1 '374' . 25.809 54.163 70.961 1.00 36.67 2878 2895 O 'O' GLN 371 1 1 '374' . 26.478 54.977 70.341 1.00 36.56 2879 2896 N 'N' TYR 372 1 1 '375' . 24.957 54.512 71.909 1.00 35.41 2880 2897 C 'CA' TYR 372 1 1 '375' . 24.684 55.900 72.234 1.00 36.57 2881 2898 C 'CB' TYR 372 1 1 '375' . 23.155 56.139 72.056 1.00 33.16 2882 2899 C 'CG' TYR 372 1 1 '375' . 22.790 56.258 70.577 1.00 31.80 2883 2900 C 'CD1' TYR 372 1 1 '375' . 22.829 57.491 69.932 1.00 30.04 2884 2901 C 'CE1' TYR 372 1 1 '375' . 22.518 57.610 68.564 1.00 29.48 2885 2902 C 'CD2' TYR 372 1 1 '375' . 22.441 55.130 69.819 1.00 29.61 2886 2903 C 'CE2' TYR 372 1 1 '375' . 22.144 55.229 68.461 1.00 28.03 2887 2904 C 'CZ' TYR 372 1 1 '375' . 22.175 56.471 67.848 1.00 30.25 2888 2905 O 'OH' TYR 372 1 1 '375' . 21.819 56.594 66.539 1.00 30.26 2889 2906 C 'C' TYR 372 1 1 '375' . 25.166 56.385 73.614 1.00 37.94 2890 2907 O 'O' TYR 372 1 1 '375' . 24.913 57.525 74.014 1.00 39.26 2891 2908 N 'N' THR 373 1 1 '376' . 25.878 55.542 74.338 1.00 37.17 2892 2909 C 'CA' THR 373 1 1 '376' . 26.344 55.953 75.645 1.00 36.81 2893 2910 C 'CB' THR 373 1 1 '376' . 26.131 54.817 76.690 1.00 37.43 2894 2911 O 'OG1' THR 373 1 1 '376' . 24.741 54.514 76.814 1.00 35.66 2895 2912 C 'CG2' THR 373 1 1 '376' . 26.666 55.211 78.044 1.00 37.31 2896 2913 C 'C' THR 373 1 1 '376' . 27.833 56.259 75.616 1.00 37.43 2897 2914 O 'O' THR 373 1 1 '376' . 28.633 55.503 75.067 1.00 35.74 2898 2915 N 'N' ASP 374 1 1 '377' . 28.209 57.373 76.217 1.00 38.60 2899 2916 C 'CA' ASP 374 1 1 '377' . 29.626 57.713 76.365 1.00 39.19 2900 2917 C 'CB' ASP 374 1 1 '377' . 29.789 59.223 76.466 1.00 40.68 2901 2918 C 'CG' ASP 374 1 1 '377' . 31.201 59.623 76.830 1.00 44.06 2902 2919 O 'OD1' ASP 374 1 1 '377' . 31.986 58.723 77.232 1.00 42.88 2903 2920 O 'OD2' ASP 374 1 1 '377' . 31.526 60.833 76.719 1.00 44.84 2904 2921 C 'C' ASP 374 1 1 '377' . 29.952 57.075 77.760 1.00 40.92 2905 2922 O 'O' ASP 374 1 1 '377' . 29.544 57.636 78.807 1.00 39.86 2906 2923 N 'N' TRP 375 1 1 '378' . 30.649 55.929 77.779 1.00 40.24 2907 2924 C 'CA' TRP 375 1 1 '378' . 30.965 55.237 79.030 1.00 42.76 2908 2925 C 'CB' TRP 375 1 1 '378' . 31.299 53.731 78.814 1.00 41.48 2909 2926 C 'CG' TRP 375 1 1 '378' . 30.157 52.950 78.283 1.00 44.01 2910 2927 C 'CD2' TRP 375 1 1 '378' . 28.932 52.599 78.963 1.00 44.27 2911 2928 C 'CE2' TRP 375 1 1 '378' . 28.100 51.975 78.020 1.00 45.38 2912 2929 C 'CE3' TRP 375 1 1 '378' . 28.465 52.765 80.267 1.00 46.54 2913 2930 C 'CD1' TRP 375 1 1 '378' . 30.013 52.518 77.007 1.00 45.39 2914 2931 N 'NE1' TRP 375 1 1 '378' . 28.789 51.932 76.839 1.00 47.25 2915 2932 C 'CZ2' TRP 375 1 1 '378' . 26.802 51.513 78.330 1.00 48.12 2916 2933 C 'CZ3' TRP 375 1 1 '378' . 27.180 52.308 80.586 1.00 46.70 2917 2934 C 'CH2' TRP 375 1 1 '378' . 26.365 51.694 79.621 1.00 47.60 2918 2935 C 'C' TRP 375 1 1 '378' . 32.017 55.864 79.929 1.00 42.67 2919 2936 O 'O' TRP 375 1 1 '378' . 32.318 55.331 80.992 1.00 43.93 2920 2937 N 'N' MET 376 1 1 '379' . 32.592 56.978 79.517 0.75 43.29 2921 2938 C 'CA' MET 376 1 1 '379' . 33.548 57.650 80.389 0.75 44.66 2922 2939 C 'CB' MET 376 1 1 '379' . 34.611 58.418 79.591 0.75 46.38 2923 2940 C 'CG' MET 376 1 1 '379' . 35.462 57.600 78.632 0.75 49.29 2924 2941 S 'SD' MET 376 1 1 '379' . 36.627 58.701 77.799 0.75 55.41 2925 2942 C 'CE' MET 376 1 1 '379' . 37.764 59.062 79.279 0.75 52.67 2926 2943 C 'C' MET 376 1 1 '379' . 32.753 58.684 81.182 0.75 45.04 2927 2944 O 'O' MET 376 1 1 '379' . 33.281 59.325 82.095 0.75 44.97 2928 2945 N 'N' ASP 377 1 1 '380' . 31.472 58.836 80.858 1.00 44.62 2929 2946 C 'CA' ASP 377 1 1 '380' . 30.663 59.892 81.485 1.00 45.04 2930 2947 C 'CB' ASP 377 1 1 '380' . 30.993 61.185 80.713 1.00 43.26 2931 2948 C 'CG' ASP 377 1 1 '380' . 30.540 62.445 81.411 1.00 44.54 2932 2949 O 'OD1' ASP 377 1 1 '380' . 30.250 62.413 82.634 1.00 46.28 2933 2950 O 'OD2' ASP 377 1 1 '380' . 30.486 63.476 80.710 1.00 43.50 2934 2951 C 'C' ASP 377 1 1 '380' . 29.181 59.538 81.414 1.00 46.65 2935 2952 O 'O' ASP 377 1 1 '380' . 28.345 60.329 80.977 1.00 44.82 2936 2953 N 'N' ASP 378 1 1 '381' . 28.864 58.336 81.878 1.00 48.69 2937 2954 C 'CA' ASP 378 1 1 '381' . 27.510 57.821 81.780 1.00 49.51 2938 2955 C 'CB' ASP 378 1 1 '381' . 27.501 56.324 82.089 1.00 50.53 2939 2956 C 'CG' ASP 378 1 1 '381' . 28.201 56.000 83.396 1.00 53.27 2940 2957 O 'OD1' ASP 378 1 1 '381' . 29.399 56.374 83.589 1.00 53.07 2941 2958 O 'OD2' ASP 378 1 1 '381' . 27.537 55.360 84.227 1.00 54.75 2942 2959 C 'C' ASP 378 1 1 '381' . 26.421 58.511 82.564 1.00 50.25 2943 2960 O 'O' ASP 378 1 1 '381' . 25.239 58.336 82.248 1.00 49.59 2944 2961 N 'N' ASN 379 1 1 '382' . 26.781 59.277 83.588 1.00 49.86 2945 2962 C 'CA' ASN 379 1 1 '382' . 25.744 59.976 84.352 1.00 49.42 2946 2963 C 'CB' ASN 379 1 1 '382' . 25.994 59.847 85.868 1.00 51.24 2947 2964 C 'CG' ASN 379 1 1 '382' . 25.839 58.420 86.350 1.00 53.06 2948 2965 O 'OD1' ASN 379 1 1 '382' . 24.825 57.777 86.101 1.00 52.33 2949 2966 N 'ND2' ASN 379 1 1 '382' . 26.860 57.910 87.032 1.00 54.75 2950 2967 C 'C' ASN 379 1 1 '382' . 25.648 61.441 83.936 1.00 47.28 2951 2968 O 'O' ASN 379 1 1 '382' . 25.071 62.268 84.631 1.00 48.17 2952 2969 N 'N' ASN 380 1 1 '383' . 26.233 61.780 82.802 1.00 44.29 2953 2970 C 'CA' ASN 380 1 1 '383' . 26.119 63.148 82.341 1.00 42.13 2954 2971 C 'CB' ASN 380 1 1 '383' . 27.163 63.367 81.262 1.00 41.48 2955 2972 C 'CG' ASN 380 1 1 '383' . 27.120 64.741 80.698 1.00 42.88 2956 2973 O 'OD1' ASN 380 1 1 '383' . 28.153 65.266 80.265 1.00 44.79 2957 2974 N 'ND2' ASN 380 1 1 '383' . 25.929 65.345 80.665 1.00 40.43 2958 2975 C 'C' ASN 380 1 1 '383' . 24.650 63.309 81.817 1.00 41.16 2959 2976 O 'O' ASN 380 1 1 '383' . 24.255 62.701 80.814 1.00 37.95 2960 2977 N 'N' GLY 381 1 1 '384' . 23.843 64.085 82.555 1.00 40.19 2961 2978 C 'CA' GLY 381 1 1 '384' . 22.449 64.305 82.209 1.00 36.50 2962 2979 C 'C' GLY 381 1 1 '384' . 22.235 64.898 80.822 1.00 36.31 2963 2980 O 'O' GLY 381 1 1 '384' . 21.292 64.514 80.130 1.00 34.90 2964 2981 N 'N' ILE 382 1 1 '385' . 23.101 65.808 80.405 1.00 36.30 2965 2982 C 'CA' ILE 382 1 1 '385' . 22.986 66.462 79.097 1.00 36.27 2966 2983 C 'CB' ILE 382 1 1 '385' . 24.028 67.596 78.952 1.00 38.92 2967 2984 C 'CG2' ILE 382 1 1 '385' . 24.015 68.198 77.562 1.00 35.13 2968 2985 C 'CG1' ILE 382 1 1 '385' . 23.796 68.676 80.016 1.00 41.32 2969 2986 C 'CD1' ILE 382 1 1 '385' . 22.447 69.219 79.996 1.00 45.75 2970 2987 C 'C' ILE 382 1 1 '385' . 23.252 65.445 77.975 1.00 38.03 2971 2988 O 'O' ILE 382 1 1 '385' . 22.587 65.454 76.930 1.00 38.67 2972 2989 N 'N' LYS 383 1 1 '386' . 24.226 64.572 78.204 1.00 37.91 2973 2990 C 'CA' LYS 383 1 1 '386' . 24.614 63.567 77.221 1.00 38.98 2974 2991 C 'CB' LYS 383 1 1 '386' . 25.977 62.943 77.575 1.00 38.08 2975 2992 C 'CG' LYS 383 1 1 '386' . 27.169 63.801 77.156 1.00 41.19 2976 2993 C 'CD' LYS 383 1 1 '386' . 28.462 63.175 77.672 1.00 43.15 2977 2994 C 'CE' LYS 383 1 1 '386' . 29.738 63.790 77.028 1.00 42.15 2978 2995 N 'NZ' LYS 383 1 1 '386' . 30.954 63.367 77.830 1.00 42.83 2979 2996 C 'C' LYS 383 1 1 '386' . 23.556 62.490 77.112 1.00 38.27 2980 2997 O 'O' LYS 383 1 1 '386' . 23.306 61.980 76.016 1.00 37.86 2981 2998 N 'N' ASN 384 1 1 '387' . 22.938 62.145 78.240 1.00 37.30 2982 2999 C 'CA' ASN 384 1 1 '387' . 21.897 61.158 78.197 1.00 37.01 2983 3000 C 'CB' ASN 384 1 1 '387' . 21.471 60.756 79.608 1.00 37.50 2984 3001 C 'CG' ASN 384 1 1 '387' . 22.566 59.952 80.348 1.00 42.66 2985 3002 O 'OD1' ASN 384 1 1 '387' . 23.417 59.314 79.708 1.00 43.18 2986 3003 N 'ND2' ASN 384 1 1 '387' . 22.546 59.983 81.697 1.00 39.91 2987 3004 C 'C' ASN 384 1 1 '387' . 20.708 61.743 77.392 1.00 36.05 2988 3005 O 'O' ASN 384 1 1 '387' . 20.145 61.059 76.534 1.00 34.99 2989 3006 N 'N' ARG 385 1 1 '388' . 20.356 63.004 77.659 1.00 34.60 2990 3007 C 'CA' ARG 385 1 1 '388' . 19.233 63.665 76.985 1.00 34.98 2991 3008 C 'CB' ARG 385 1 1 '388' . 18.981 65.071 77.578 1.00 33.49 2992 3009 C 'CG' ARG 385 1 1 '388' . 17.903 65.918 76.858 1.00 33.84 2993 3010 C 'CD' ARG 385 1 1 '388' . 18.095 67.415 77.071 1.00 32.96 2994 3011 N 'NE' ARG 385 1 1 '388' . 19.281 67.917 76.361 1.00 35.77 2995 3012 C 'CZ' ARG 385 1 1 '388' . 19.930 69.048 76.673 1.00 33.59 2996 3013 N 'NH1' ARG 385 1 1 '388' . 20.981 69.436 75.980 1.00 34.16 2997 3014 N 'NH2' ARG 385 1 1 '388' . 19.537 69.794 77.689 1.00 34.69 2998 3015 C 'C' ARG 385 1 1 '388' . 19.499 63.759 75.470 1.00 35.63 2999 3016 O 'O' ARG 385 1 1 '388' . 18.640 63.365 74.647 1.00 36.31 3000 3017 N 'N' ASP 386 1 1 '389' . 20.691 64.237 75.103 1.00 33.89 3001 3018 C 'CA' ASP 386 1 1 '389' . 21.039 64.352 73.699 1.00 34.65 3002 3019 C 'CB' ASP 386 1 1 '389' . 22.317 65.177 73.518 1.00 31.90 3003 3020 C 'CG' ASP 386 1 1 '389' . 22.106 66.660 73.877 1.00 33.63 3004 3021 O 'OD1' ASP 386 1 1 '389' . 20.923 67.107 73.959 1.00 30.80 3005 3022 O 'OD2' ASP 386 1 1 '389' . 23.126 67.348 74.069 1.00 33.61 3006 3023 C 'C' ASP 386 1 1 '389' . 21.163 63.001 72.968 1.00 34.13 3007 3024 O 'O' ASP 386 1 1 '389' . 20.820 62.907 71.769 1.00 32.87 3008 3025 N 'N' GLY 387 1 1 '390' . 21.653 61.987 73.686 1.00 33.32 3009 3026 C 'CA' GLY 387 1 1 '390' . 21.793 60.660 73.112 1.00 32.51 3010 3027 C 'C' GLY 387 1 1 '390' . 20.427 60.070 72.770 1.00 32.82 3011 3028 O 'O' GLY 387 1 1 '390' . 20.250 59.476 71.716 1.00 31.94 3012 3029 N 'N' LEU 388 1 1 '391' . 19.462 60.251 73.668 1.00 32.05 3013 3030 C 'CA' LEU 388 1 1 '391' . 18.103 59.771 73.478 1.00 33.14 3014 3031 C 'CB' LEU 388 1 1 '391' . 17.345 60.042 74.789 1.00 34.19 3015 3032 C 'CG' LEU 388 1 1 '391' . 16.108 59.244 75.161 1.00 38.83 3016 3033 C 'CD1' LEU 388 1 1 '391' . 16.236 57.775 74.603 1.00 39.65 3017 3034 C 'CD2' LEU 388 1 1 '391' . 15.928 59.256 76.722 1.00 37.68 3018 3035 C 'C' LEU 388 1 1 '391' . 17.453 60.518 72.269 1.00 33.66 3019 3036 O 'O' LEU 388 1 1 '391' . 16.802 59.928 71.408 1.00 34.14 3020 3037 N 'N' ASP 389 1 1 '392' . 17.646 61.827 72.227 1.00 33.44 3021 3038 C 'CA' ASP 389 1 1 '392' . 17.143 62.664 71.150 1.00 34.70 3022 3039 C 'CB' ASP 389 1 1 '392' . 17.619 64.114 71.391 1.00 35.85 3023 3040 C 'CG' ASP 389 1 1 '392' . 16.867 65.160 70.558 1.00 40.68 3024 3041 O 'OD1' ASP 389 1 1 '392' . 16.094 64.847 69.613 1.00 42.36 3025 3042 O 'OD2' ASP 389 1 1 '392' . 17.077 66.353 70.848 1.00 44.18 3026 3043 C 'C' ASP 389 1 1 '392' . 17.684 62.069 69.831 1.00 34.10 3027 3044 O 'O' ASP 389 1 1 '392' . 16.907 61.772 68.918 1.00 35.02 3028 3045 N 'N' ASP 390 1 1 '393' . 18.995 61.861 69.724 1.00 32.59 3029 3046 C 'CA' ASP 390 1 1 '393' . 19.552 61.279 68.497 1.00 30.66 3030 3047 C 'CB' ASP 390 1 1 '393' . 21.056 61.189 68.596 1.00 33.01 3031 3048 C 'CG' ASP 390 1 1 '393' . 21.718 62.541 68.532 1.00 37.07 3032 3049 O 'OD1' ASP 390 1 1 '393' . 21.149 63.453 67.890 1.00 39.97 3033 3050 O 'OD2' ASP 390 1 1 '393' . 22.825 62.684 69.092 1.00 39.78 3034 3051 C 'C' ASP 390 1 1 '393' . 18.997 59.876 68.176 1.00 30.73 3035 3052 O 'O' ASP 390 1 1 '393' . 18.772 59.532 67.002 1.00 30.00 3036 3053 N 'N' ILE 391 1 1 '394' . 18.794 59.055 69.200 1.00 28.12 3037 3054 C 'CA' ILE 391 1 1 '394' . 18.226 57.726 68.953 1.00 28.54 3038 3055 C 'CB' ILE 391 1 1 '394' . 18.072 56.921 70.259 1.00 29.05 3039 3056 C 'CG2' ILE 391 1 1 '394' . 17.036 55.761 70.094 1.00 26.68 3040 3057 C 'CG1' ILE 391 1 1 '394' . 19.463 56.402 70.705 1.00 27.31 3041 3058 C 'CD1' ILE 391 1 1 '394' . 19.452 55.977 72.175 1.00 28.97 3042 3059 C 'C' ILE 391 1 1 '394' . 16.858 57.859 68.300 1.00 27.92 3043 3060 O 'O' ILE 391 1 1 '394' . 16.598 57.241 67.292 1.00 29.16 3044 3061 N 'N' VAL 392 1 1 '395' . 15.997 58.700 68.844 1.00 28.71 3045 3062 C 'CA' VAL 392 1 1 '395' . 14.687 58.822 68.265 1.00 28.53 3046 3063 C 'CB' VAL 392 1 1 '395' . 13.782 59.714 69.154 1.00 28.88 3047 3064 C 'CG1' VAL 392 1 1 '395' . 12.395 59.851 68.541 1.00 26.92 3048 3065 C 'CG2' VAL 392 1 1 '395' . 13.661 59.072 70.536 1.00 27.96 3049 3066 C 'C' VAL 392 1 1 '395' . 14.760 59.333 66.831 1.00 28.57 3050 3067 O 'O' VAL 392 1 1 '395' . 14.169 58.728 65.931 1.00 29.07 3051 3068 N 'N' GLY 393 1 1 '396' . 15.527 60.409 66.620 1.00 28.27 3052 3069 C 'CA' GLY 393 1 1 '396' . 15.675 60.972 65.296 1.00 26.42 3053 3070 C 'C' GLY 393 1 1 '396' . 16.368 60.049 64.294 1.00 28.57 3054 3071 O 'O' GLY 393 1 1 '396' . 15.930 59.935 63.130 1.00 28.80 3055 3072 N 'N' ASP 394 1 1 '397' . 17.438 59.369 64.706 1.00 27.59 3056 3073 C 'CA' ASP 394 1 1 '397' . 18.125 58.499 63.763 1.00 26.87 3057 3074 C 'CB' ASP 394 1 1 '397' . 19.429 57.927 64.345 1.00 27.81 3058 3075 C 'CG' ASP 394 1 1 '397' . 20.509 59.000 64.583 1.00 28.73 3059 3076 O 'OD1' ASP 394 1 1 '397' . 20.431 60.102 64.020 1.00 25.62 3060 3077 O 'OD2' ASP 394 1 1 '397' . 21.457 58.699 65.329 1.00 28.56 3061 3078 C 'C' ASP 394 1 1 '397' . 17.246 57.310 63.346 1.00 27.14 3062 3079 O 'O' ASP 394 1 1 '397' . 17.151 56.986 62.173 1.00 26.96 3063 3080 N 'N' HIS 395 1 1 '398' . 16.638 56.655 64.322 1.00 26.61 3064 3081 C 'CA' HIS 395 1 1 '398' . 15.812 55.497 64.042 1.00 28.10 3065 3082 C 'CB' HIS 395 1 1 '398' . 15.462 54.757 65.372 1.00 27.24 3066 3083 C 'CG' HIS 395 1 1 '398' . 14.408 53.707 65.224 1.00 28.13 3067 3084 C 'CD2' HIS 395 1 1 '398' . 13.182 53.597 65.794 1.00 28.05 3068 3085 N 'ND1' HIS 395 1 1 '398' . 14.561 52.589 64.408 1.00 28.96 3069 3086 C 'CE1' HIS 395 1 1 '398' . 13.473 51.845 64.486 1.00 27.54 3070 3087 N 'NE2' HIS 395 1 1 '398' . 12.621 52.433 65.322 1.00 29.30 3071 3088 C 'C' HIS 395 1 1 '398' . 14.522 55.809 63.257 1.00 27.90 3072 3089 O 'O' HIS 395 1 1 '398' . 14.175 55.079 62.339 1.00 28.12 3073 3090 N 'N' ASN 396 1 1 '399' . 13.867 56.918 63.585 1.00 27.36 3074 3091 C 'CA' ASN 396 1 1 '399' . 12.603 57.229 62.989 1.00 26.69 3075 3092 C 'CB' ASN 396 1 1 '399' . 11.746 57.880 64.045 1.00 26.27 3076 3093 C 'CG' ASN 396 1 1 '399' . 11.265 56.878 65.104 1.00 27.40 3077 3094 O 'OD1' ASN 396 1 1 '399' . 10.482 55.957 64.811 1.00 24.77 3078 3095 N 'ND2' ASN 396 1 1 '399' . 11.709 57.071 66.342 1.00 25.91 3079 3096 C 'C' ASN 396 1 1 '399' . 12.597 58.059 61.737 1.00 27.93 3080 3097 O 'O' ASN 396 1 1 '399' . 11.702 57.923 60.910 1.00 27.74 3081 3098 N 'N' VAL 397 1 1 '400' . 13.636 58.870 61.546 1.00 27.92 3082 3099 C 'CA' VAL 397 1 1 '400' . 13.640 59.771 60.410 1.00 26.13 3083 3100 C 'CB' VAL 397 1 1 '400' . 13.412 61.218 60.895 1.00 25.96 3084 3101 C 'CG1' VAL 397 1 1 '400' . 13.501 62.211 59.731 1.00 24.12 3085 3102 C 'CG2' VAL 397 1 1 '400' . 12.039 61.307 61.562 1.00 25.88 3086 3103 C 'C' VAL 397 1 1 '400' . 14.897 59.740 59.590 1.00 26.88 3087 3104 O 'O' VAL 397 1 1 '400' . 14.869 59.416 58.396 1.00 28.01 3088 3105 N 'N' ILE 398 1 1 '401' . 16.025 60.046 60.221 1.00 27.36 3089 3106 C 'CA' ILE 398 1 1 '401' . 17.268 60.104 59.467 1.00 26.24 3090 3107 C 'CB' ILE 398 1 1 '401' . 18.399 60.673 60.314 1.00 24.66 3091 3108 C 'CG2' ILE 398 1 1 '401' . 19.722 60.709 59.470 1.00 21.53 3092 3109 C 'CG1' ILE 398 1 1 '401' . 17.943 62.061 60.823 1.00 25.31 3093 3110 C 'CD1' ILE 398 1 1 '401' . 19.010 62.941 61.379 1.00 28.54 3094 3111 C 'C' ILE 398 1 1 '401' . 17.733 58.839 58.780 1.00 27.92 3095 3112 O 'O' ILE 398 1 1 '401' . 17.895 58.824 57.554 1.00 28.77 3096 3113 N 'N' CYS 399 1 1 '402' . 17.959 57.774 59.537 1.00 28.85 3097 3114 C 'CA' CYS 399 1 1 '402' . 18.449 56.553 58.905 1.00 28.17 3098 3115 C 'C' CYS 399 1 1 '402' . 17.460 55.961 57.882 1.00 28.16 3099 3116 O 'O' CYS 399 1 1 '402' . 17.893 55.431 56.891 1.00 26.93 3100 3117 C 'CB' CYS 399 1 1 '402' . 18.880 55.573 59.992 1.00 28.18 3101 3118 S 'SG' CYS 399 1 1 '402' . 20.325 56.296 60.869 1.00 32.23 3102 3119 N 'N' PRO 400 1 1 '403' . 16.123 56.005 58.144 1.00 29.49 3103 3120 C 'CD' PRO 400 1 1 '403' . 15.446 56.204 59.450 1.00 29.72 3104 3121 C 'CA' PRO 400 1 1 '403' . 15.178 55.475 57.139 1.00 29.64 3105 3122 C 'CB' PRO 400 1 1 '403' . 13.780 55.735 57.763 1.00 27.80 3106 3123 C 'CG' PRO 400 1 1 '403' . 14.057 55.545 59.229 1.00 30.15 3107 3124 C 'C' PRO 400 1 1 '403' . 15.355 56.344 55.865 1.00 30.35 3108 3125 O 'O' PRO 400 1 1 '403' . 15.397 55.814 54.752 1.00 31.96 3109 3126 N 'N' LEU 401 1 1 '404' . 15.464 57.676 56.028 1.00 29.95 3110 3127 C 'CA' LEU 401 1 1 '404' . 15.625 58.529 54.858 1.00 30.67 3111 3128 C 'CB' LEU 401 1 1 '404' . 15.564 60.015 55.242 1.00 30.62 3112 3129 C 'CG' LEU 401 1 1 '404' . 15.583 60.996 54.045 1.00 32.00 3113 3130 C 'CD1' LEU 401 1 1 '404' . 14.614 62.184 54.217 1.00 31.13 3114 3131 C 'CD2' LEU 401 1 1 '404' . 17.014 61.481 53.879 1.00 29.06 3115 3132 C 'C' LEU 401 1 1 '404' . 16.952 58.226 54.099 1.00 32.23 3116 3133 O 'O' LEU 401 1 1 '404' . 16.984 58.181 52.847 1.00 31.80 3117 3134 N 'N' MET 402 1 1 '405' . 18.035 58.009 54.841 1.00 31.14 3118 3135 C 'CA' MET 402 1 1 '405' . 19.312 57.725 54.187 1.00 32.44 3119 3136 C 'CB' MET 402 1 1 '405' . 20.483 57.745 55.193 1.00 29.49 3120 3137 C 'CG' MET 402 1 1 '405' . 20.703 59.160 55.722 1.00 28.32 3121 3138 S 'SD' MET 402 1 1 '405' . 20.854 60.415 54.419 1.00 29.70 3122 3139 C 'CE' MET 402 1 1 '405' . 22.294 59.619 53.474 1.00 26.80 3123 3140 C 'C' MET 402 1 1 '405' . 19.235 56.401 53.429 1.00 32.19 3124 3141 O 'O' MET 402 1 1 '405' . 19.762 56.278 52.333 1.00 32.34 3125 3142 N 'N' HIS 403 1 1 '406' . 18.519 55.436 53.982 1.00 32.32 3126 3143 C 'CA' HIS 403 1 1 '406' . 18.370 54.159 53.292 1.00 32.77 3127 3144 C 'CB' HIS 403 1 1 '406' . 17.673 53.144 54.206 1.00 31.73 3128 3145 C 'CG' HIS 403 1 1 '406' . 17.435 51.814 53.569 1.00 33.91 3129 3146 C 'CD2' HIS 403 1 1 '406' . 16.285 51.214 53.158 1.00 33.33 3130 3147 N 'ND1' HIS 403 1 1 '406' . 18.455 50.923 53.300 1.00 34.38 3131 3148 C 'CE1' HIS 403 1 1 '406' . 17.946 49.835 52.749 1.00 33.52 3132 3149 N 'NE2' HIS 403 1 1 '406' . 16.633 49.984 52.655 1.00 34.11 3133 3150 C 'C' HIS 403 1 1 '406' . 17.534 54.394 52.005 1.00 33.51 3134 3151 O 'O' HIS 403 1 1 '406' . 17.894 53.884 50.925 1.00 34.49 3135 3152 N 'N' PHE 404 1 1 '407' . 16.431 55.147 52.113 1.00 31.48 3136 3153 C 'CA' PHE 404 1 1 '407' . 15.630 55.418 50.924 1.00 31.77 3137 3154 C 'CB' PHE 404 1 1 '407' . 14.389 56.266 51.248 1.00 31.17 3138 3155 C 'CG' PHE 404 1 1 '407' . 13.650 56.773 50.035 1.00 30.26 3139 3156 C 'CD1' PHE 404 1 1 '407' . 12.781 55.945 49.324 1.00 30.78 3140 3157 C 'CD2' PHE 404 1 1 '407' . 13.798 58.091 49.620 1.00 30.07 3141 3158 C 'CE1' PHE 404 1 1 '407' . 12.051 56.420 48.205 1.00 30.33 3142 3159 C 'CE2' PHE 404 1 1 '407' . 13.079 58.574 48.502 1.00 30.13 3143 3160 C 'CZ' PHE 404 1 1 '407' . 12.205 57.733 47.804 1.00 30.05 3144 3161 C 'C' PHE 404 1 1 '407' . 16.473 56.157 49.885 1.00 32.46 3145 3162 O 'O' PHE 404 1 1 '407' . 16.438 55.785 48.695 1.00 31.55 3146 3163 N 'N' VAL 405 1 1 '408' . 17.268 57.155 50.312 1.00 32.04 3147 3164 C 'CA' VAL 405 1 1 '408' . 18.001 57.911 49.311 1.00 33.60 3148 3165 C 'CB' VAL 405 1 1 '408' . 18.553 59.274 49.859 1.00 34.04 3149 3166 C 'CG1' VAL 405 1 1 '408' . 19.675 59.054 50.792 1.00 33.40 3150 3167 C 'CG2' VAL 405 1 1 '408' . 19.013 60.168 48.679 1.00 36.21 3151 3168 C 'C' VAL 405 1 1 '408' . 19.107 57.124 48.606 1.00 34.27 3152 3169 O 'O' VAL 405 1 1 '408' . 19.353 57.307 47.407 1.00 33.85 3153 3170 N 'N' ASN 406 1 1 '409' . 19.765 56.246 49.335 1.00 34.80 3154 3171 C 'CA' ASN 406 1 1 '409' . 20.799 55.450 48.702 1.00 35.26 3155 3172 C 'CB' ASN 406 1 1 '409' . 21.703 54.815 49.784 1.00 34.46 3156 3173 C 'CG' ASN 406 1 1 '409' . 22.830 55.766 50.189 1.00 37.11 3157 3174 O 'OD1' ASN 406 1 1 '409' . 23.712 56.048 49.361 1.00 40.52 3158 3175 N 'ND2' ASN 406 1 1 '409' . 22.807 56.283 51.429 1.00 33.71 3159 3176 C 'C' ASN 406 1 1 '409' . 20.129 54.417 47.788 1.00 35.20 3160 3177 O 'O' ASN 406 1 1 '409' . 20.652 54.092 46.732 1.00 37.02 3161 3178 N 'N' LYS 407 1 1 '410' . 18.972 53.900 48.155 1.00 33.88 3162 3179 C 'CA' LYS 407 1 1 '410' . 18.338 52.952 47.253 1.00 35.80 3163 3180 C 'CB' LYS 407 1 1 '410' . 17.205 52.227 47.957 1.00 37.03 3164 3181 C 'CG' LYS 407 1 1 '410' . 17.677 51.249 49.008 1.00 39.58 3165 3182 C 'CD' LYS 407 1 1 '410' . 18.218 49.995 48.370 1.00 40.36 3166 3183 C 'CE' LYS 407 1 1 '410' . 18.787 49.059 49.408 1.00 43.26 3167 3184 N 'NZ' LYS 407 1 1 '410' . 19.470 47.911 48.711 1.00 43.84 3168 3185 C 'C' LYS 407 1 1 '410' . 17.776 53.684 46.020 1.00 36.50 3169 3186 O 'O' LYS 407 1 1 '410' . 17.883 53.200 44.885 1.00 35.48 3170 3187 N 'N' TYR 408 1 1 '411' . 17.220 54.873 46.237 1.00 34.99 3171 3188 C 'CA' TYR 408 1 1 '411' . 16.610 55.594 45.142 1.00 35.11 3172 3189 C 'CB' TYR 408 1 1 '411' . 15.816 56.837 45.640 1.00 33.55 3173 3190 C 'CG' TYR 408 1 1 '411' . 15.008 57.461 44.535 1.00 30.61 3174 3191 C 'CD1' TYR 408 1 1 '411' . 13.726 57.017 44.278 1.00 30.88 3175 3192 C 'CE1' TYR 408 1 1 '411' . 12.978 57.514 43.222 1.00 32.32 3176 3193 C 'CD2' TYR 408 1 1 '411' . 15.558 58.459 43.699 1.00 29.96 3177 3194 C 'CE2' TYR 408 1 1 '411' . 14.836 58.981 42.627 1.00 28.39 3178 3195 C 'CZ' TYR 408 1 1 '411' . 13.532 58.497 42.379 1.00 31.96 3179 3196 O 'OH' TYR 408 1 1 '411' . 12.798 58.885 41.272 1.00 30.13 3180 3197 C 'C' TYR 408 1 1 '411' . 17.602 56.051 44.101 1.00 35.22 3181 3198 O 'O' TYR 408 1 1 '411' . 17.377 55.897 42.900 1.00 35.03 3182 3199 N 'N' THR 409 1 1 '412' . 18.687 56.636 44.577 1.00 36.19 3183 3200 C 'CA' THR 409 1 1 '412' . 19.705 57.190 43.716 1.00 36.54 3184 3201 C 'CB' THR 409 1 1 '412' . 20.793 57.846 44.600 1.00 35.10 3185 3202 O 'OG1' THR 409 1 1 '412' . 20.192 58.921 45.341 1.00 36.75 3186 3203 C 'CG2' THR 409 1 1 '412' . 21.936 58.382 43.778 1.00 34.35 3187 3204 C 'C' THR 409 1 1 '412' . 20.291 56.196 42.712 1.00 37.95 3188 3205 O 'O' THR 409 1 1 '412' . 20.691 56.573 41.622 1.00 38.90 3189 3206 N 'N' LYS 410 1 1 '413' . 20.319 54.933 43.069 1.00 39.05 3190 3207 C 'CA' LYS 410 1 1 '413' . 20.824 53.945 42.154 1.00 41.82 3191 3208 C 'CB' LYS 410 1 1 '413' . 20.810 52.568 42.830 1.00 42.98 3192 3209 C 'CG' LYS 410 1 1 '413' . 21.117 51.411 41.860 1.00 46.44 3193 3213 C 'C' LYS 410 1 1 '413' . 19.991 53.916 40.841 1.00 42.89 3194 3214 O 'O' LYS 410 1 1 '413' . 20.540 53.657 39.768 1.00 43.77 3195 3215 N 'N' PHE 411 1 1 '414' . 18.680 54.174 40.910 1.00 41.61 3196 3216 C 'CA' PHE 411 1 1 '414' . 17.846 54.155 39.709 1.00 40.32 3197 3217 C 'CB' PHE 411 1 1 '414' . 16.670 53.235 39.915 1.00 40.53 3198 3218 C 'CG' PHE 411 1 1 '414' . 17.040 51.822 40.081 1.00 42.60 3199 3219 C 'CD1' PHE 411 1 1 '414' . 17.217 50.999 38.962 1.00 43.22 3200 3220 C 'CD2' PHE 411 1 1 '414' . 17.154 51.278 41.350 1.00 41.10 3201 3221 C 'CE1' PHE 411 1 1 '414' . 17.493 49.642 39.125 1.00 43.41 3202 3222 C 'CE2' PHE 411 1 1 '414' . 17.430 49.935 41.529 1.00 43.52 3203 3223 C 'CZ' PHE 411 1 1 '414' . 17.600 49.108 40.414 1.00 43.87 3204 3224 C 'C' PHE 411 1 1 '414' . 17.258 55.486 39.265 1.00 39.94 3205 3225 O 'O' PHE 411 1 1 '414' . 16.715 55.581 38.160 1.00 37.55 3206 3226 N 'N' GLY 412 1 1 '415' . 17.327 56.497 40.134 1.00 39.75 3207 3227 C 'CA' GLY 412 1 1 '415' . 16.723 57.784 39.828 1.00 38.46 3208 3228 C 'C' GLY 412 1 1 '415' . 17.415 58.678 38.822 1.00 38.21 3209 3229 O 'O' GLY 412 1 1 '415' . 18.474 58.380 38.313 1.00 37.80 3210 3230 N 'N' ASN 413 1 1 '416' . 16.828 59.830 38.575 1.00 38.85 3211 3231 C 'CA' ASN 413 1 1 '416' . 17.419 60.699 37.596 1.00 40.03 3212 3232 C 'CB' ASN 413 1 1 '416' . 16.363 61.002 36.495 1.00 43.56 3213 3233 C 'CG' ASN 413 1 1 '416' . 16.963 61.775 35.300 1.00 49.06 3214 3234 O 'OD1' ASN 413 1 1 '416' . 16.485 62.877 34.961 1.00 46.48 3215 3235 N 'ND2' ASN 413 1 1 '416' . 18.018 61.213 34.687 1.00 49.82 3216 3236 C 'C' ASN 413 1 1 '416' . 17.997 61.969 38.204 1.00 38.85 3217 3237 O 'O' ASN 413 1 1 '416' . 18.235 62.941 37.499 1.00 38.81 3218 3238 N 'N' GLY 414 1 1 '417' . 18.238 61.961 39.518 1.00 37.97 3219 3239 C 'CA' GLY 414 1 1 '417' . 18.817 63.133 40.170 1.00 35.82 3220 3240 C 'C' GLY 414 1 1 '417' . 18.361 63.323 41.615 1.00 35.90 3221 3241 O 'O' GLY 414 1 1 '417' . 17.152 63.407 41.883 1.00 36.99 3222 3242 N 'N' THR 415 1 1 '418' . 19.315 63.411 42.534 1.00 33.39 3223 3243 C 'CA' THR 415 1 1 '418' . 19.015 63.551 43.944 1.00 33.39 3224 3244 C 'CB' THR 415 1 1 '418' . 19.495 62.281 44.694 1.00 33.43 3225 3245 O 'OG1' THR 415 1 1 '418' . 18.958 61.097 44.068 1.00 33.35 3226 3246 C 'CG2' THR 415 1 1 '418' . 19.141 62.355 46.183 1.00 30.87 3227 3247 C 'C' THR 415 1 1 '418' . 19.778 64.754 44.547 1.00 34.56 3228 3248 O 'O' THR 415 1 1 '418' . 20.979 64.936 44.250 1.00 34.13 3229 3249 N 'N' TYR 416 1 1 '419' . 19.083 65.567 45.350 1.00 32.74 3230 3250 C 'CA' TYR 416 1 1 '419' . 19.684 66.677 46.090 1.00 33.89 3231 3251 C 'CB' TYR 416 1 1 '419' . 19.215 68.051 45.577 1.00 34.71 3232 3252 C 'CG' TYR 416 1 1 '419' . 19.629 68.247 44.137 1.00 35.62 3233 3253 C 'CD1' TYR 416 1 1 '419' . 18.818 67.783 43.091 1.00 32.82 3234 3254 C 'CE1' TYR 416 1 1 '419' . 19.192 67.901 41.809 1.00 33.52 3235 3255 C 'CD2' TYR 416 1 1 '419' . 20.857 68.835 43.824 1.00 34.98 3236 3256 C 'CE2' TYR 416 1 1 '419' . 21.256 68.955 42.511 1.00 36.06 3237 3257 C 'CZ' TYR 416 1 1 '419' . 20.418 68.495 41.503 1.00 38.29 3238 3258 O 'OH' TYR 416 1 1 '419' . 20.781 68.656 40.170 1.00 42.02 3239 3259 C 'C' TYR 416 1 1 '419' . 19.276 66.462 47.557 1.00 34.01 3240 3260 O 'O' TYR 416 1 1 '419' . 18.067 66.361 47.885 1.00 34.75 3241 3261 N 'N' LEU 417 1 1 '420' . 20.294 66.349 48.411 1.00 33.04 3242 3262 C 'CA' LEU 417 1 1 '420' . 20.132 66.085 49.836 1.00 32.17 3243 3263 C 'CB' LEU 417 1 1 '420' . 20.912 64.820 50.194 1.00 29.58 3244 3264 C 'CG' LEU 417 1 1 '420' . 20.804 64.325 51.643 1.00 31.21 3245 3265 C 'CD1' LEU 417 1 1 '420' . 19.391 63.859 51.939 1.00 29.20 3246 3266 C 'CD2' LEU 417 1 1 '420' . 21.856 63.181 51.895 1.00 30.05 3247 3267 C 'C' LEU 417 1 1 '420' . 20.533 67.253 50.757 1.00 31.71 3248 3268 O 'O' LEU 417 1 1 '420' . 21.516 67.953 50.535 1.00 31.13 3249 3269 N 'N' TYR 418 1 1 '421' . 19.743 67.487 51.793 1.00 31.68 3250 3270 C 'CA' TYR 418 1 1 '421' . 20.085 68.578 52.696 1.00 32.27 3251 3271 C 'CB' TYR 418 1 1 '421' . 19.168 69.776 52.412 1.00 31.44 3252 3272 C 'CG' TYR 418 1 1 '421' . 17.737 69.636 52.925 1.00 31.74 3253 3273 C 'CD1' TYR 418 1 1 '421' . 17.449 69.721 54.303 1.00 30.08 3254 3274 C 'CE1' TYR 418 1 1 '421' . 16.112 69.510 54.786 1.00 29.94 3255 3275 C 'CD2' TYR 418 1 1 '421' . 16.674 69.352 52.037 1.00 29.53 3256 3276 C 'CE2' TYR 418 1 1 '421' . 15.385 69.141 52.502 1.00 28.01 3257 3277 C 'CZ' TYR 418 1 1 '421' . 15.102 69.215 53.874 1.00 29.45 3258 3278 O 'OH' TYR 418 1 1 '421' . 13.833 68.931 54.317 1.00 30.29 3259 3279 C 'C' TYR 418 1 1 '421' . 19.999 68.210 54.186 1.00 32.34 3260 3280 O 'O' TYR 418 1 1 '421' . 19.295 67.267 54.565 1.00 31.91 3261 3281 N 'N' PHE 419 1 1 '422' . 20.699 68.978 55.009 1.00 31.38 3262 3282 C 'CA' PHE 419 1 1 '422' . 20.688 68.817 56.441 1.00 33.47 3263 3283 C 'CB' PHE 419 1 1 '422' . 22.054 68.335 56.916 1.00 35.16 3264 3284 C 'CG' PHE 419 1 1 '422' . 22.144 68.104 58.411 1.00 35.36 3265 3285 C 'CD1' PHE 419 1 1 '422' . 21.515 67.011 59.001 1.00 35.62 3266 3286 C 'CD2' PHE 419 1 1 '422' . 22.911 68.941 59.205 1.00 34.03 3267 3287 C 'CE1' PHE 419 1 1 '422' . 21.658 66.741 60.390 1.00 36.63 3268 3288 C 'CE2' PHE 419 1 1 '422' . 23.063 68.699 60.562 1.00 35.49 3269 3289 C 'CZ' PHE 419 1 1 '422' . 22.426 67.577 61.164 1.00 36.80 3270 3290 C 'C' PHE 419 1 1 '422' . 20.384 70.214 56.988 1.00 35.65 3271 3291 O 'O' PHE 419 1 1 '422' . 21.232 71.119 56.923 1.00 36.58 3272 3292 N 'N' PHE 420 1 1 '423' . 19.164 70.404 57.493 1.00 36.49 3273 3293 C 'CA' PHE 420 1 1 '423' . 18.725 71.686 58.034 1.00 35.31 3274 3294 C 'CB' PHE 420 1 1 '423' . 17.238 71.860 57.806 1.00 36.04 3275 3295 C 'CG' PHE 420 1 1 '423' . 16.702 73.178 58.289 1.00 37.46 3276 3296 C 'CD1' PHE 420 1 1 '423' . 16.678 74.283 57.449 1.00 35.54 3277 3297 C 'CD2' PHE 420 1 1 '423' . 16.170 73.297 59.581 1.00 36.74 3278 3298 C 'CE1' PHE 420 1 1 '423' . 16.120 75.491 57.877 1.00 37.29 3279 3299 C 'CE2' PHE 420 1 1 '423' . 15.605 74.515 60.028 1.00 37.09 3280 3300 C 'CZ' PHE 420 1 1 '423' . 15.581 75.612 59.172 1.00 35.18 3281 3301 C 'C' PHE 420 1 1 '423' . 19.042 71.774 59.526 1.00 36.08 3282 3302 O 'O' PHE 420 1 1 '423' . 18.465 71.045 60.354 1.00 35.51 3283 3303 N 'N' ASN 421 1 1 '424' . 19.962 72.678 59.877 1.00 36.83 3284 3304 C 'CA' ASN 421 1 1 '424' . 20.377 72.799 61.267 1.00 38.54 3285 3305 C 'CB' ASN 421 1 1 '424' . 21.761 72.131 61.512 1.00 36.07 3286 3306 C 'CG' ASN 421 1 1 '424' . 22.878 72.767 60.702 1.00 38.19 3287 3307 O 'OD1' ASN 421 1 1 '424' . 22.629 73.563 59.801 1.00 38.91 3288 3308 N 'ND2' ASN 421 1 1 '424' . 24.120 72.398 60.999 1.00 37.97 3289 3309 C 'C' ASN 421 1 1 '424' . 20.375 74.220 61.778 1.00 40.11 3290 3310 O 'O' ASN 421 1 1 '424' . 21.240 74.598 62.604 1.00 39.74 3291 3311 N 'N' HIS 422 1 1 '425' . 19.410 75.018 61.315 1.00 39.54 3292 3312 C 'CA' HIS 422 1 1 '425' . 19.345 76.366 61.854 1.00 40.41 3293 3313 C 'CB' HIS 422 1 1 '425' . 19.045 77.443 60.784 1.00 39.87 3294 3314 C 'CG' HIS 422 1 1 '425' . 18.929 78.836 61.365 1.00 41.54 3295 3315 C 'CD2' HIS 422 1 1 '425' . 17.848 79.618 61.613 1.00 43.94 3296 3316 N 'ND1' HIS 422 1 1 '425' . 20.009 79.522 61.879 1.00 40.85 3297 3317 C 'CE1' HIS 422 1 1 '425' . 19.603 80.654 62.428 1.00 43.15 3298 3318 N 'NE2' HIS 422 1 1 '425' . 18.293 80.739 62.281 1.00 45.28 3299 3319 C 'C' HIS 422 1 1 '425' . 18.270 76.445 62.936 1.00 40.27 3300 3320 O 'O' HIS 422 1 1 '425' . 17.110 76.138 62.710 1.00 40.76 3301 3321 N 'N' ARG 423 1 1 '426' . 18.661 76.876 64.115 1.00 41.66 3302 3322 C 'CA' ARG 423 1 1 '426' . 17.718 77.059 65.212 1.00 43.17 3303 3323 C 'CB' ARG 423 1 1 '426' . 18.439 76.785 66.542 1.00 43.29 3304 3324 C 'CG' ARG 423 1 1 '426' . 17.817 77.426 67.776 1.00 46.84 3305 3325 C 'CD' ARG 423 1 1 '426' . 16.891 76.514 68.502 1.00 45.58 3306 3326 N 'NE' ARG 423 1 1 '426' . 16.320 77.141 69.689 1.00 45.57 3307 3327 C 'CZ' ARG 423 1 1 '426' . 15.549 76.486 70.561 1.00 47.28 3308 3328 N 'NH1' ARG 423 1 1 '426' . 15.033 77.124 71.621 1.00 43.04 3309 3329 N 'NH2' ARG 423 1 1 '426' . 15.312 75.168 70.375 1.00 46.36 3310 3330 C 'C' ARG 423 1 1 '426' . 17.221 78.528 65.101 1.00 43.22 3311 3331 O 'O' ARG 423 1 1 '426' . 18.002 79.457 65.241 1.00 44.37 3312 3332 N 'N' ALA 424 1 1 '427' . 15.935 78.716 64.823 1.00 42.52 3313 3333 C 'CA' ALA 424 1 1 '427' . 15.336 80.042 64.663 1.00 43.63 3314 3334 C 'CB' ALA 424 1 1 '427' . 13.858 79.927 64.209 1.00 41.16 3315 3335 C 'C' ALA 424 1 1 '427' . 15.430 80.924 65.917 1.00 44.42 3316 3336 O 'O' ALA 424 1 1 '427' . 15.172 80.484 67.056 1.00 43.92 3317 3337 N 'N' SER 425 1 1 '428' . 15.779 82.187 65.673 1.00 45.61 3318 3338 C 'CA' SER 425 1 1 '428' . 15.978 83.192 66.722 1.00 46.60 3319 3339 C 'CB' SER 425 1 1 '428' . 16.428 84.521 66.102 1.00 46.89 3320 3340 O 'OG' SER 425 1 1 '428' . 15.439 84.997 65.187 1.00 49.76 3321 3341 C 'C' SER 425 1 1 '428' . 14.744 83.402 67.567 1.00 46.87 3322 3342 O 'O' SER 425 1 1 '428' . 14.868 83.626 68.752 1.00 47.77 3323 3343 N 'N' ASN 426 1 1 '429' . 13.558 83.277 66.968 1.00 47.25 3324 3344 C 'CA' ASN 426 1 1 '429' . 12.294 83.467 67.691 1.00 45.99 3325 3345 C 'CB' ASN 426 1 1 '429' . 11.290 84.206 66.774 1.00 45.69 3326 3346 C 'CG' ASN 426 1 1 '429' . 11.082 83.488 65.406 1.00 47.35 3327 3347 O 'OD1' ASN 426 1 1 '429' . 11.542 82.351 65.208 1.00 45.12 3328 3348 N 'ND2' ASN 426 1 1 '429' . 10.381 84.157 64.469 1.00 45.03 3329 3349 C 'C' ASN 426 1 1 '429' . 11.628 82.168 68.173 1.00 45.54 3330 3350 O 'O' ASN 426 1 1 '429' . 10.397 82.164 68.439 1.00 45.66 3331 3351 N 'N' LEU 427 1 1 '430' . 12.375 81.070 68.264 1.00 43.61 3332 3352 C 'CA' LEU 427 1 1 '430' . 11.746 79.800 68.683 1.00 42.95 3333 3353 C 'CB' LEU 427 1 1 '430' . 12.748 78.644 68.652 1.00 44.25 3334 3354 C 'CG' LEU 427 1 1 '430' . 12.513 77.428 67.736 1.00 47.03 3335 3355 C 'CD1' LEU 427 1 1 '430' . 12.882 76.234 68.567 1.00 48.95 3336 3356 C 'CD2' LEU 427 1 1 '430' . 11.079 77.245 67.253 1.00 48.65 3337 3357 C 'C' LEU 427 1 1 '430' . 11.157 79.856 70.092 1.00 42.62 3338 3358 O 'O' LEU 427 1 1 '430' . 11.838 80.283 71.040 1.00 41.07 3339 3359 N 'N' VAL 428 1 1 '431' . 9.918 79.392 70.255 1.00 39.91 3340 3360 C 'CA' VAL 428 1 1 '431' . 9.325 79.437 71.577 1.00 39.07 3341 3361 C 'CB' VAL 428 1 1 '431' . 7.804 79.687 71.489 1.00 40.39 3342 3362 C 'CG1' VAL 428 1 1 '431' . 7.559 81.003 70.726 1.00 38.29 3343 3363 C 'CG2' VAL 428 1 1 '431' . 7.098 78.507 70.756 1.00 37.57 3344 3364 C 'C' VAL 428 1 1 '431' . 9.593 78.174 72.384 1.00 40.61 3345 3365 O 'O' VAL 428 1 1 '431' . 9.334 78.136 73.594 1.00 41.67 3346 3366 N 'N' TRP 429 1 1 '432' . 10.114 77.132 71.737 1.00 39.30 3347 3367 C 'CA' TRP 429 1 1 '432' . 10.415 75.866 72.450 1.00 36.15 3348 3368 C 'CB' TRP 429 1 1 '432' . 10.434 74.666 71.453 1.00 33.48 3349 3369 C 'CG' TRP 429 1 1 '432' . 9.060 74.343 70.842 1.00 30.66 3350 3370 C 'CD2' TRP 429 1 1 '432' . 7.995 73.635 71.463 1.00 27.70 3351 3371 C 'CE2' TRP 429 1 1 '432' . 6.941 73.546 70.517 1.00 28.39 3352 3372 C 'CE3' TRP 429 1 1 '432' . 7.822 73.067 72.723 1.00 28.40 3353 3373 C 'CD1' TRP 429 1 1 '432' . 8.620 74.660 69.580 1.00 31.08 3354 3374 N 'NE1' TRP 429 1 1 '432' . 7.351 74.185 69.383 1.00 27.95 3355 3375 C 'CZ2' TRP 429 1 1 '432' . 5.723 72.894 70.788 1.00 27.48 3356 3376 C 'CZ3' TRP 429 1 1 '432' . 6.607 72.415 73.008 1.00 31.29 3357 3377 C 'CH2' TRP 429 1 1 '432' . 5.570 72.334 72.024 1.00 30.70 3358 3378 C 'C' TRP 429 1 1 '432' . 11.767 75.958 73.174 1.00 35.15 3359 3379 O 'O' TRP 429 1 1 '432' . 12.671 76.669 72.725 1.00 36.34 3360 3380 N 'N' PRO 430 1 1 '433' . 11.938 75.220 74.278 1.00 35.05 3361 3381 C 'CD' PRO 430 1 1 '433' . 11.103 74.135 74.838 1.00 33.73 3362 3382 C 'CA' PRO 430 1 1 '433' . 13.212 75.294 74.984 1.00 35.93 3363 3383 C 'CB' PRO 430 1 1 '433' . 13.016 74.336 76.139 1.00 35.57 3364 3384 C 'CG' PRO 430 1 1 '433' . 12.128 73.255 75.503 1.00 33.50 3365 3385 C 'C' PRO 430 1 1 '433' . 14.391 74.890 74.115 1.00 38.13 3366 3386 O 'O' PRO 430 1 1 '433' . 14.251 74.165 73.126 1.00 38.63 3367 3387 N 'N' GLU 431 1 1 '434' . 15.557 75.335 74.545 1.00 39.86 3368 3388 C 'CA' GLU 431 1 1 '434' . 16.820 75.110 73.877 1.00 40.53 3369 3389 C 'CB' GLU 431 1 1 '434' . 17.927 75.786 74.689 1.00 44.20 3370 3390 C 'CG' GLU 431 1 1 '434' . 18.781 76.728 73.862 1.00 51.45 3371 3391 C 'CD' GLU 431 1 1 '434' . 18.001 77.983 73.424 1.00 57.17 3372 3393 O 'OE2' GLU 431 1 1 '434' . 18.301 78.563 72.335 1.00 60.76 3373 3394 C 'C' GLU 431 1 1 '434' . 17.192 73.641 73.665 1.00 37.82 3374 3395 O 'O' GLU 431 1 1 '434' . 17.720 73.269 72.613 1.00 35.56 3375 3396 N 'N' TRP 432 1 1 '435' . 16.950 72.816 74.675 1.00 36.24 3376 3397 C 'CA' TRP 432 1 1 '435' . 17.314 71.408 74.564 1.00 36.47 3377 3398 C 'CB' TRP 432 1 1 '435' . 16.991 70.652 75.852 1.00 35.95 3378 3399 C 'CG' TRP 432 1 1 '435' . 15.503 70.373 76.115 1.00 38.06 3379 3400 C 'CD2' TRP 432 1 1 '435' . 14.704 69.264 75.612 1.00 37.35 3380 3401 C 'CE2' TRP 432 1 1 '435' . 13.433 69.358 76.226 1.00 37.50 3381 3402 C 'CE3' TRP 432 1 1 '435' . 14.944 68.215 74.708 1.00 36.71 3382 3403 C 'CD1' TRP 432 1 1 '435' . 14.695 71.056 76.969 1.00 36.89 3383 3404 N 'NE1' TRP 432 1 1 '435' . 13.464 70.449 77.050 1.00 38.95 3384 3405 C 'CZ2' TRP 432 1 1 '435' . 12.393 68.449 75.965 1.00 36.40 3385 3406 C 'CZ3' TRP 432 1 1 '435' . 13.916 67.306 74.445 1.00 36.87 3386 3407 C 'CH2' TRP 432 1 1 '435' . 12.652 67.434 75.074 1.00 37.77 3387 3408 C 'C' TRP 432 1 1 '435' . 16.647 70.711 73.349 1.00 35.36 3388 3409 O 'O' TRP 432 1 1 '435' . 17.149 69.730 72.866 1.00 33.23 3389 3410 N 'N' MET 433 1 1 '436' . 15.561 71.268 72.826 1.00 34.50 3390 3411 C 'CA' MET 433 1 1 '436' . 14.910 70.633 71.697 1.00 34.23 3391 3412 C 'CB' MET 433 1 1 '436' . 13.429 71.050 71.630 1.00 32.55 3392 3413 C 'CG' MET 433 1 1 '436' . 12.591 70.378 72.751 1.00 31.04 3393 3414 S 'SD' MET 433 1 1 '436' . 10.889 71.078 72.885 1.00 33.47 3394 3415 C 'CE' MET 433 1 1 '436' . 10.060 70.167 71.538 1.00 31.82 3395 3416 C 'C' MET 433 1 1 '436' . 15.614 70.850 70.365 1.00 33.97 3396 3417 O 'O' MET 433 1 1 '436' . 15.311 70.147 69.394 1.00 33.22 3397 3418 N 'N' GLY 434 1 1 '437' . 16.559 71.794 70.319 1.00 33.73 3398 3419 C 'CA' GLY 434 1 1 '437' . 17.322 72.063 69.086 1.00 32.60 3399 3420 C 'C' GLY 434 1 1 '437' . 16.545 72.473 67.830 1.00 34.19 3400 3421 O 'O' GLY 434 1 1 '437' . 15.669 73.334 67.881 1.00 35.38 3401 3422 N 'N' VAL 435 1 1 '438' . 16.891 71.864 66.697 1.00 32.24 3402 3423 C 'CA' VAL 435 1 1 '438' . 16.245 72.108 65.426 1.00 31.95 3403 3424 C 'CB' VAL 435 1 1 '438' . 17.294 72.041 64.320 1.00 33.96 3404 3425 C 'CG1' VAL 435 1 1 '438' . 16.701 72.522 62.996 1.00 32.77 3405 3426 C 'CG2' VAL 435 1 1 '438' . 18.509 72.926 64.730 1.00 31.62 3406 3427 C 'C' VAL 435 1 1 '438' . 15.184 70.976 65.305 1.00 32.42 3407 3428 O 'O' VAL 435 1 1 '438' . 15.454 69.807 64.873 1.00 30.17 3408 3429 N 'N' ILE 436 1 1 '439' . 13.984 71.362 65.743 1.00 30.82 3409 3430 C 'CA' ILE 436 1 1 '439' . 12.816 70.521 65.871 1.00 29.48 3410 3431 C 'CB' ILE 436 1 1 '439' . 11.812 71.272 66.729 1.00 29.96 3411 3432 C 'CG2' ILE 436 1 1 '439' . 10.559 70.450 66.982 1.00 26.37 3412 3433 C 'CG1' ILE 436 1 1 '439' . 12.515 71.678 68.051 1.00 29.40 3413 3434 C 'CD1' ILE 436 1 1 '439' . 11.740 72.704 68.792 1.00 28.33 3414 3435 C 'C' ILE 436 1 1 '439' . 12.158 70.020 64.586 1.00 29.72 3415 3436 O 'O' ILE 436 1 1 '439' . 12.242 70.660 63.532 1.00 30.11 3416 3437 N 'N' HIS 437 1 1 '440' . 11.555 68.835 64.693 1.00 28.31 3417 3438 C 'CA' HIS 437 1 1 '440' . 10.840 68.200 63.614 1.00 27.66 3418 3439 C 'CB' HIS 437 1 1 '440' . 10.227 66.900 64.124 1.00 26.64 3419 3440 C 'CG' HIS 437 1 1 '440' . 9.628 66.028 63.063 1.00 26.59 3420 3441 C 'CD2' HIS 437 1 1 '440' . 8.372 65.508 62.940 1.00 27.67 3421 3442 N 'ND1' HIS 437 1 1 '440' . 10.376 65.475 62.045 1.00 24.28 3422 3443 C 'CE1' HIS 437 1 1 '440' . 9.614 64.632 61.350 1.00 27.35 3423 3444 N 'NE2' HIS 437 1 1 '440' . 8.395 64.631 61.872 1.00 27.16 3424 3445 C 'C' HIS 437 1 1 '440' . 9.749 69.172 63.231 1.00 29.51 3425 3446 O 'O' HIS 437 1 1 '440' . 8.965 69.577 64.086 1.00 31.05 3426 3447 N 'N' GLY 438 1 1 '441' . 9.731 69.561 61.957 1.00 30.43 3427 3448 C 'CA' GLY 438 1 1 '441' . 8.711 70.456 61.437 1.00 31.64 3428 3449 C 'C' GLY 438 1 1 '441' . 9.112 71.922 61.306 1.00 34.13 3429 3450 O 'O' GLY 438 1 1 '441' . 8.429 72.688 60.627 1.00 33.31 3430 3451 N 'N' TYR 439 1 1 '442' . 10.236 72.307 61.903 1.00 34.87 3431 3452 C 'CA' TYR 439 1 1 '442' . 10.610 73.691 61.894 1.00 34.99 3432 3453 C 'CB' TYR 439 1 1 '442' . 11.279 74.063 63.228 1.00 36.64 3433 3454 C 'CG' TYR 439 1 1 '442' . 10.198 74.300 64.280 1.00 37.96 3434 3455 C 'CD1' TYR 439 1 1 '442' . 9.458 73.220 64.792 1.00 37.75 3435 3456 C 'CE1' TYR 439 1 1 '442' . 8.330 73.420 65.617 1.00 37.99 3436 3457 C 'CD2' TYR 439 1 1 '442' . 9.791 75.616 64.635 1.00 38.48 3437 3458 C 'CE2' TYR 439 1 1 '442' . 8.643 75.830 65.464 1.00 36.88 3438 3459 C 'CZ' TYR 439 1 1 '442' . 7.915 74.726 65.946 1.00 38.54 3439 3460 O 'OH' TYR 439 1 1 '442' . 6.766 74.880 66.718 1.00 36.02 3440 3461 C 'C' TYR 439 1 1 '442' . 11.370 74.230 60.718 1.00 36.44 3441 3462 O 'O' TYR 439 1 1 '442' . 11.816 75.414 60.738 1.00 35.46 3442 3463 N 'N' GLU 440 1 1 '443' . 11.547 73.391 59.690 1.00 33.98 3443 3464 C 'CA' GLU 440 1 1 '443' . 12.129 73.920 58.454 1.00 32.97 3444 3465 C 'CB' GLU 440 1 1 '443' . 12.952 72.864 57.690 1.00 32.08 3445 3466 C 'CG' GLU 440 1 1 '443' . 12.130 71.951 56.766 1.00 29.36 3446 3467 C 'CD' GLU 440 1 1 '443' . 11.154 71.023 57.505 1.00 31.36 3447 3468 O 'OE1' GLU 440 1 1 '443' . 11.220 70.899 58.763 1.00 27.68 3448 3469 O 'OE2' GLU 440 1 1 '443' . 10.324 70.401 56.808 1.00 31.84 3449 3470 C 'C' GLU 440 1 1 '443' . 10.916 74.388 57.581 1.00 32.92 3450 3471 O 'O' GLU 440 1 1 '443' . 11.055 75.222 56.685 1.00 33.04 3451 3472 N 'N' ILE 441 1 1 '444' . 9.715 73.896 57.878 1.00 31.58 3452 3473 C 'CA' ILE 441 1 1 '444' . 8.548 74.244 57.068 1.00 33.05 3453 3474 C 'CB' ILE 441 1 1 '444' . 7.257 73.594 57.660 1.00 31.63 3454 3475 C 'CG2' ILE 441 1 1 '444' . 5.988 74.146 56.900 1.00 30.59 3455 3476 C 'CG1' ILE 441 1 1 '444' . 7.418 72.069 57.668 1.00 30.60 3456 3477 C 'CD1' ILE 441 1 1 '444' . 6.282 71.273 58.315 1.00 26.88 3457 3478 C 'C' ILE 441 1 1 '444' . 8.331 75.782 56.929 1.00 34.75 3458 3479 O 'O' ILE 441 1 1 '444' . 8.102 76.309 55.818 1.00 34.83 3459 3480 N 'N' GLU 442 1 1 '445' . 8.411 76.485 58.054 1.00 34.16 3460 3481 C 'CA' GLU 442 1 1 '445' . 8.217 77.933 58.060 1.00 35.78 3461 3482 C 'CB' GLU 442 1 1 '445' . 8.261 78.494 59.524 1.00 36.66 3462 3483 C 'CG' GLU 442 1 1 '445' . 9.562 78.210 60.301 1.00 36.99 3463 3484 C 'CD' GLU 442 1 1 '445' . 9.395 78.351 61.832 1.00 37.62 3464 3485 O 'OE1' GLU 442 1 1 '445' . 8.458 77.745 62.423 1.00 34.06 3465 3486 O 'OE2' GLU 442 1 1 '445' . 10.229 79.056 62.443 1.00 36.66 3466 3487 C 'C' GLU 442 1 1 '445' . 9.223 78.639 57.133 1.00 35.96 3467 3488 O 'O' GLU 442 1 1 '445' . 8.932 79.705 56.577 1.00 36.12 3468 3489 N 'N' PHE 443 1 1 '446' . 10.398 78.054 56.952 1.00 35.99 3469 3490 C 'CA' PHE 443 1 1 '446' . 11.343 78.644 56.037 1.00 35.82 3470 3491 C 'CB' PHE 443 1 1 '446' . 12.765 78.161 56.314 1.00 36.99 3471 3492 C 'CG' PHE 443 1 1 '446' . 13.413 78.862 57.476 1.00 37.99 3472 3493 C 'CD1' PHE 443 1 1 '446' . 13.179 78.438 58.792 1.00 36.48 3473 3494 C 'CD2' PHE 443 1 1 '446' . 14.170 80.036 57.259 1.00 37.90 3474 3495 C 'CE1' PHE 443 1 1 '446' . 13.666 79.165 59.877 1.00 36.74 3475 3496 C 'CE2' PHE 443 1 1 '446' . 14.668 80.776 58.343 1.00 36.92 3476 3497 C 'CZ' PHE 443 1 1 '446' . 14.414 80.346 59.655 1.00 38.22 3477 3498 C 'C' PHE 443 1 1 '446' . 10.947 78.257 54.615 1.00 37.35 3478 3499 O 'O' PHE 443 1 1 '446' . 11.151 79.031 53.666 1.00 38.03 3479 3500 N 'N' VAL 444 1 1 '447' . 10.385 77.060 54.439 1.00 35.01 3480 3501 C 'CA' VAL 444 1 1 '447' . 9.999 76.658 53.101 1.00 33.95 3481 3502 C 'CB' VAL 444 1 1 '447' . 9.655 75.148 53.052 1.00 34.25 3482 3503 C 'CG1' VAL 444 1 1 '447' . 8.791 74.829 51.820 1.00 32.98 3483 3504 C 'CG2' VAL 444 1 1 '447' . 10.974 74.331 53.041 1.00 32.45 3484 3505 C 'C' VAL 444 1 1 '447' . 8.801 77.486 52.629 1.00 35.24 3485 3506 O 'O' VAL 444 1 1 '447' . 8.700 77.806 51.433 1.00 33.70 3486 3507 N 'N' PHE 445 1 1 '448' . 7.893 77.818 53.565 1.00 34.77 3487 3508 C 'CA' PHE 445 1 1 '448' . 6.732 78.611 53.211 1.00 34.95 3488 3509 C 'CB' PHE 445 1 1 '448' . 5.512 78.177 54.006 1.00 31.41 3489 3510 C 'CG' PHE 445 1 1 '448' . 4.878 76.962 53.446 1.00 33.95 3490 3511 C 'CD1' PHE 445 1 1 '448' . 5.462 75.682 53.652 1.00 32.72 3491 3512 C 'CD2' PHE 445 1 1 '448' . 3.738 77.063 52.646 1.00 33.83 3492 3513 C 'CE1' PHE 445 1 1 '448' . 4.911 74.533 53.065 1.00 33.18 3493 3514 C 'CE2' PHE 445 1 1 '448' . 3.183 75.906 52.046 1.00 34.89 3494 3515 C 'CZ' PHE 445 1 1 '448' . 3.771 74.644 52.257 1.00 33.84 3495 3516 C 'C' PHE 445 1 1 '448' . 6.933 80.131 53.294 1.00 37.23 3496 3517 O 'O' PHE 445 1 1 '448' . 5.990 80.901 53.117 1.00 38.28 3497 3518 N 'N' GLY 446 1 1 '449' . 8.165 80.547 53.579 1.00 38.18 3498 3519 C 'CA' GLY 446 1 1 '449' . 8.492 81.959 53.603 1.00 39.09 3499 3520 C 'C' GLY 446 1 1 '449' . 8.021 82.853 54.730 1.00 39.82 3500 3521 O 'O' GLY 446 1 1 '449' . 8.024 84.064 54.532 1.00 39.75 3501 3522 N 'N' LEU 447 1 1 '450' . 7.647 82.295 55.881 1.00 40.03 3502 3523 C 'CA' LEU 447 1 1 '450' . 7.209 83.094 57.028 1.00 42.02 3503 3524 C 'CB' LEU 447 1 1 '450' . 6.839 82.211 58.216 1.00 40.19 3504 3525 C 'CG' LEU 447 1 1 '450' . 5.572 81.341 58.059 1.00 41.01 3505 3526 C 'CD1' LEU 447 1 1 '450' . 4.468 81.850 58.898 1.00 42.51 3506 3527 C 'CD2' LEU 447 1 1 '450' . 5.127 81.315 56.651 1.00 42.36 3507 3528 C 'C' LEU 447 1 1 '450' . 8.237 84.151 57.472 1.00 43.16 3508 3529 O 'O' LEU 447 1 1 '450' . 7.852 85.210 57.958 1.00 44.37 3509 3530 N 'N' PRO 448 1 1 '451' . 9.543 83.883 57.317 1.00 43.65 3510 3531 C 'CD' PRO 448 1 1 '451' . 10.249 82.606 57.138 1.00 45.02 3511 3532 C 'CA' PRO 448 1 1 '451' . 10.487 84.919 57.744 1.00 46.01 3512 3533 C 'CB' PRO 448 1 1 '451' . 11.854 84.217 57.676 1.00 42.95 3513 3534 C 'CG' PRO 448 1 1 '451' . 11.500 82.828 57.988 1.00 44.23 3514 3535 C 'C' PRO 448 1 1 '451' . 10.449 86.197 56.887 1.00 47.31 3515 3536 O 'O' PRO 448 1 1 '451' . 11.072 87.172 57.254 1.00 48.05 3516 3537 N 'N' LEU 449 1 1 '452' . 9.773 86.189 55.741 1.00 48.63 3517 3538 C 'CA' LEU 449 1 1 '452' . 9.699 87.411 54.963 1.00 49.39 3518 3539 C 'CB' LEU 449 1 1 '452' . 9.268 87.189 53.513 1.00 49.11 3519 3540 C 'CG' LEU 449 1 1 '452' . 9.831 86.117 52.604 1.00 52.51 3520 3541 C 'CD1' LEU 449 1 1 '452' . 9.707 86.629 51.151 1.00 52.45 3521 3542 C 'CD2' LEU 449 1 1 '452' . 11.268 85.745 52.978 1.00 51.54 3522 3543 C 'C' LEU 449 1 1 '452' . 8.678 88.377 55.590 1.00 50.55 3523 3544 O 'O' LEU 449 1 1 '452' . 8.638 89.536 55.187 1.00 50.76 3524 3545 N 'N' VAL 450 1 1 '453' . 7.832 87.937 56.525 1.00 51.71 3525 3546 C 'CA' VAL 450 1 1 '453' . 6.893 88.897 57.130 1.00 53.60 3526 3547 C 'CB' VAL 450 1 1 '453' . 5.389 88.354 57.256 1.00 54.16 3527 3548 C 'CG1' VAL 450 1 1 '453' . 5.199 87.022 56.530 1.00 53.94 3528 3549 C 'CG2' VAL 450 1 1 '453' . 4.950 88.295 58.681 1.00 54.04 3529 3550 C 'C' VAL 450 1 1 '453' . 7.418 89.450 58.478 1.00 54.82 3530 3551 O 'O' VAL 450 1 1 '453' . 7.508 88.744 59.503 1.00 54.21 3531 3552 N 'N' LYS 451 1 1 '454' . 7.799 90.730 58.416 1.00 55.66 3532 3553 C 'CA' LYS 451 1 1 '454' . 8.367 91.516 59.517 1.00 56.21 3533 3554 C 'CB' LYS 451 1 1 '454' . 8.290 93.019 59.154 1.00 57.13 3534 3559 C 'C' LYS 451 1 1 '454' . 7.755 91.275 60.903 1.00 56.20 3535 3560 O 'O' LYS 451 1 1 '454' . 8.487 91.087 61.876 1.00 54.85 3536 3561 N 'N' GLU 452 1 1 '455' . 6.428 91.280 60.991 1.00 56.02 3537 3562 C 'CA' GLU 452 1 1 '455' . 5.752 91.046 62.264 1.00 58.77 3538 3563 C 'CB' GLU 452 1 1 '455' . 4.229 91.074 62.076 1.00 60.91 3539 3564 C 'CG' GLU 452 1 1 '455' . 3.697 92.334 61.403 1.00 65.75 3540 3565 C 'CD' GLU 452 1 1 '455' . 4.166 92.481 59.947 1.00 68.20 3541 3566 O 'OE1' GLU 452 1 1 '455' . 3.668 91.717 59.084 1.00 69.00 3542 3567 O 'OE2' GLU 452 1 1 '455' . 5.033 93.353 59.667 1.00 70.32 3543 3568 C 'C' GLU 452 1 1 '455' . 6.130 89.721 62.964 1.00 59.31 3544 3569 O 'O' GLU 452 1 1 '455' . 5.997 89.605 64.181 1.00 59.80 3545 3570 N 'N' LEU 453 1 1 '456' . 6.596 88.720 62.221 1.00 59.20 3546 3571 C 'CA' LEU 453 1 1 '456' . 6.939 87.450 62.857 1.00 58.48 3547 3572 C 'CB' LEU 453 1 1 '456' . 6.836 86.313 61.840 1.00 56.86 3548 3573 C 'CG' LEU 453 1 1 '456' . 5.412 86.137 61.281 1.00 56.10 3549 3574 C 'CD1' LEU 453 1 1 '456' . 5.398 85.003 60.239 1.00 56.31 3550 3575 C 'CD2' LEU 453 1 1 '456' . 4.413 85.882 62.414 1.00 52.08 3551 3576 C 'C' LEU 453 1 1 '456' . 8.306 87.489 63.542 1.00 59.07 3552 3577 O 'O' LEU 453 1 1 '456' . 8.749 86.527 64.170 1.00 60.40 3553 3578 N 'N' ASN 454 1 1 '457' . 8.993 88.607 63.408 1.00 58.56 3554 3579 C 'CA' ASN 454 1 1 '457' . 10.243 88.772 64.120 1.00 57.75 3555 3580 C 'CB' ASN 454 1 1 '457' . 9.997 88.657 65.639 1.00 59.65 3556 3581 C 'CG' ASN 454 1 1 '457' . 8.965 89.666 66.184 1.00 61.69 3557 3582 O 'OD1' ASN 454 1 1 '457' . 8.403 89.471 67.284 1.00 63.26 3558 3583 N 'ND2' ASN 454 1 1 '457' . 8.727 90.742 65.443 1.00 61.87 3559 3584 C 'C' ASN 454 1 1 '457' . 11.399 87.843 63.801 1.00 56.33 3560 3585 O 'O' ASN 454 1 1 '457' . 12.024 87.341 64.733 1.00 56.38 3561 3586 N 'N' TYR 455 1 1 '458' . 11.709 87.590 62.540 1.00 54.01 3562 3587 C 'CA' TYR 455 1 1 '458' . 12.875 86.750 62.267 1.00 51.90 3563 3588 C 'CB' TYR 455 1 1 '458' . 12.679 85.854 61.027 1.00 49.28 3564 3589 C 'CG' TYR 455 1 1 '458' . 11.736 84.672 61.209 1.00 48.13 3565 3590 C 'CD1' TYR 455 1 1 '458' . 10.354 84.818 61.037 1.00 46.85 3566 3591 C 'CE1' TYR 455 1 1 '458' . 9.473 83.735 61.205 1.00 45.32 3567 3592 C 'CD2' TYR 455 1 1 '458' . 12.227 83.399 61.557 1.00 46.97 3568 3593 C 'CE2' TYR 455 1 1 '458' . 11.363 82.315 61.729 1.00 46.17 3569 3594 C 'CZ' TYR 455 1 1 '458' . 9.976 82.487 61.550 1.00 46.60 3570 3595 O 'OH' TYR 455 1 1 '458' . 9.095 81.407 61.697 1.00 45.30 3571 3596 C 'C' TYR 455 1 1 '458' . 14.017 87.729 62.000 1.00 52.78 3572 3597 O 'O' TYR 455 1 1 '458' . 13.797 88.931 61.852 1.00 53.13 3573 3598 N 'N' THR 456 1 1 '459' . 15.241 87.230 61.942 1.00 52.54 3574 3599 C 'CA' THR 456 1 1 '459' . 16.368 88.097 61.656 1.00 52.02 3575 3600 C 'CB' THR 456 1 1 '459' . 17.675 87.477 62.105 1.00 52.23 3576 3601 O 'OG1' THR 456 1 1 '459' . 17.902 86.269 61.359 1.00 50.35 3577 3602 C 'CG2' THR 456 1 1 '459' . 17.631 87.183 63.605 1.00 52.02 3578 3603 C 'C' THR 456 1 1 '459' . 16.472 88.259 60.156 1.00 52.62 3579 3604 O 'O' THR 456 1 1 '459' . 15.897 87.485 59.398 1.00 52.67 3580 3605 N 'N' ALA 457 1 1 '460' . 17.235 89.254 59.727 1.00 52.15 3581 3606 C 'CA' ALA 457 1 1 '460' . 17.434 89.493 58.310 1.00 51.03 3582 3607 C 'CB' ALA 457 1 1 '460' . 18.293 90.750 58.098 1.00 49.94 3583 3608 C 'C' ALA 457 1 1 '460' . 18.127 88.279 57.680 1.00 49.64 3584 3609 O 'O' ALA 457 1 1 '460' . 17.879 87.942 56.524 1.00 50.63 3585 3610 N 'N' GLU 458 1 1 '461' . 19.022 87.631 58.406 1.00 48.62 3586 3611 C 'CA' GLU 458 1 1 '461' . 19.678 86.481 57.812 1.00 49.13 3587 3612 C 'CB' GLU 458 1 1 '461' . 20.987 86.139 58.572 1.00 51.70 3588 3613 C 'CG' GLU 458 1 1 '461' . 21.066 86.599 60.064 1.00 57.80 3589 3614 C 'CD' GLU 458 1 1 '461' . 21.252 88.132 60.265 1.00 59.06 3590 3615 O 'OE1' GLU 458 1 1 '461' . 22.319 88.670 59.878 1.00 60.70 3591 3616 O 'OE2' GLU 458 1 1 '461' . 20.329 88.792 60.814 1.00 59.47 3592 3617 C 'C' GLU 458 1 1 '461' . 18.674 85.287 57.705 1.00 47.43 3593 3618 O 'O' GLU 458 1 1 '461' . 18.791 84.446 56.818 1.00 46.31 3594 3619 N 'N' GLU 459 1 1 '462' . 17.665 85.260 58.575 1.00 45.23 3595 3620 C 'CA' GLU 459 1 1 '462' . 16.662 84.216 58.499 1.00 45.37 3596 3621 C 'CB' GLU 459 1 1 '462' . 15.851 84.121 59.804 1.00 42.75 3597 3622 C 'CG' GLU 459 1 1 '462' . 16.715 83.454 60.862 1.00 42.14 3598 3623 C 'CD' GLU 459 1 1 '462' . 16.135 83.446 62.253 1.00 43.60 3599 3624 O 'OE1' GLU 459 1 1 '462' . 15.261 84.281 62.550 1.00 45.86 3600 3625 O 'OE2' GLU 459 1 1 '462' . 16.577 82.605 63.065 1.00 44.17 3601 3626 C 'C' GLU 459 1 1 '462' . 15.774 84.460 57.287 1.00 45.63 3602 3627 O 'O' GLU 459 1 1 '462' . 15.347 83.494 56.631 1.00 44.85 3603 3628 N 'N' GLU 460 1 1 '463' . 15.536 85.734 56.959 1.00 44.55 3604 3629 C 'CA' GLU 460 1 1 '463' . 14.733 86.065 55.805 1.00 43.63 3605 3630 C 'CB' GLU 460 1 1 '463' . 14.428 87.561 55.709 1.00 46.88 3606 3631 C 'CG' GLU 460 1 1 '463' . 13.783 87.892 54.344 1.00 47.92 3607 3632 C 'CD' GLU 460 1 1 '463' . 13.498 89.364 54.125 1.00 50.51 3608 3633 O 'OE1' GLU 460 1 1 '463' . 14.012 90.195 54.922 1.00 52.55 3609 3634 O 'OE2' GLU 460 1 1 '463' . 12.776 89.683 53.141 1.00 49.28 3610 3635 C 'C' GLU 460 1 1 '463' . 15.513 85.663 54.576 1.00 43.73 3611 3636 O 'O' GLU 460 1 1 '463' . 14.955 85.102 53.619 1.00 43.52 3612 3637 N 'N' ALA 461 1 1 '464' . 16.808 85.947 54.587 1.00 41.83 3613 3638 C 'CA' ALA 461 1 1 '464' . 17.621 85.564 53.445 1.00 41.67 3614 3639 C 'CB' ALA 461 1 1 '464' . 19.082 86.161 53.572 1.00 41.21 3615 3640 C 'C' ALA 461 1 1 '464' . 17.676 84.036 53.286 1.00 40.17 3616 3641 O 'O' ALA 461 1 1 '464' . 17.734 83.522 52.168 1.00 39.21 3617 3642 N 'N' LEU 462 1 1 '465' . 17.686 83.310 54.401 1.00 40.83 3618 3643 C 'CA' LEU 462 1 1 '465' . 17.726 81.834 54.328 1.00 39.14 3619 3644 C 'CB' LEU 462 1 1 '465' . 17.943 81.235 55.716 1.00 38.28 3620 3645 C 'CG' LEU 462 1 1 '465' . 17.816 79.709 55.812 1.00 35.81 3621 3646 C 'CD1' LEU 462 1 1 '465' . 18.792 78.980 54.836 1.00 34.14 3622 3647 C 'CD2' LEU 462 1 1 '465' . 18.076 79.349 57.243 1.00 35.96 3623 3648 C 'C' LEU 462 1 1 '465' . 16.395 81.335 53.742 1.00 37.48 3624 3649 O 'O' LEU 462 1 1 '465' . 16.366 80.473 52.866 1.00 36.08 3625 3650 N 'N' SER 463 1 1 '466' . 15.299 81.920 54.209 1.00 36.69 3626 3651 C 'CA' SER 463 1 1 '466' . 14.010 81.534 53.700 1.00 37.33 3627 3652 C 'CB' SER 463 1 1 '466' . 12.901 82.318 54.389 1.00 37.36 3628 3653 O 'OG' SER 463 1 1 '466' . 11.595 81.899 53.981 1.00 35.55 3629 3654 C 'C' SER 463 1 1 '466' . 13.972 81.765 52.196 1.00 40.28 3630 3655 O 'O' SER 463 1 1 '466' . 13.544 80.875 51.429 1.00 41.91 3631 3656 N 'N' ARG 464 1 1 '467' . 14.452 82.923 51.745 1.00 40.83 3632 3657 C 'CA' ARG 464 1 1 '467' . 14.418 83.195 50.309 1.00 41.60 3633 3658 C 'CB' ARG 464 1 1 '467' . 14.792 84.654 49.976 1.00 42.55 3634 3659 C 'CG' ARG 464 1 1 '467' . 13.675 85.668 50.319 1.00 44.53 3635 3660 C 'CD' ARG 464 1 1 '467' . 14.141 87.141 50.062 1.00 45.18 3636 3661 N 'NE' ARG 464 1 1 '467' . 13.113 88.093 50.487 1.00 46.31 3637 3662 C 'CZ' ARG 464 1 1 '467' . 12.037 88.399 49.767 1.00 44.79 3638 3663 N 'NH1' ARG 464 1 1 '467' . 11.858 87.840 48.582 1.00 42.79 3639 3664 N 'NH2' ARG 464 1 1 '467' . 11.122 89.220 50.260 1.00 44.85 3640 3665 C 'C' ARG 464 1 1 '467' . 15.270 82.227 49.508 1.00 41.07 3641 3666 O 'O' ARG 464 1 1 '467' . 14.827 81.796 48.430 1.00 41.29 3642 3667 N 'N' ARG 465 1 1 '468' . 16.470 81.866 49.969 1.00 39.69 3643 3668 C 'CA' ARG 465 1 1 '468' . 17.163 80.880 49.152 1.00 41.67 3644 3669 C 'CB' ARG 465 1 1 '468' . 18.681 80.740 49.463 1.00 43.82 3645 3670 C 'CG' ARG 465 1 1 '468' . 19.144 81.212 50.783 1.00 47.88 3646 3671 C 'CD' ARG 465 1 1 '468' . 20.688 81.335 50.775 1.00 49.58 3647 3672 N 'NE' ARG 465 1 1 '468' . 21.325 80.073 50.471 1.00 50.60 3648 3673 C 'CZ' ARG 465 1 1 '468' . 21.742 79.230 51.404 1.00 50.98 3649 3674 N 'NH1' ARG 465 1 1 '468' . 21.573 79.570 52.661 1.00 50.89 3650 3675 N 'NH2' ARG 465 1 1 '468' . 22.314 78.060 51.078 1.00 49.64 3651 3676 C 'C' ARG 465 1 1 '468' . 16.489 79.483 49.198 1.00 40.02 3652 3677 O 'O' ARG 465 1 1 '468' . 16.514 78.771 48.206 1.00 39.47 3653 3678 N 'N' ILE 466 1 1 '469' . 15.886 79.092 50.317 1.00 38.44 3654 3679 C 'CA' ILE 466 1 1 '469' . 15.242 77.780 50.338 1.00 37.42 3655 3680 C 'CB' ILE 466 1 1 '469' . 14.832 77.404 51.807 1.00 35.94 3656 3681 C 'CG2' ILE 466 1 1 '469' . 13.814 76.259 51.828 1.00 34.01 3657 3682 C 'CG1' ILE 466 1 1 '469' . 16.100 77.012 52.587 1.00 32.97 3658 3683 C 'CD1' ILE 466 1 1 '469' . 15.898 76.959 54.088 1.00 31.80 3659 3684 C 'C' ILE 466 1 1 '469' . 14.050 77.750 49.368 1.00 37.78 3660 3685 O 'O' ILE 466 1 1 '469' . 13.898 76.820 48.543 1.00 37.57 3661 3686 N 'N' MET 467 1 1 '470' . 13.232 78.794 49.418 1.00 38.91 3662 3687 C 'CA' MET 467 1 1 '470' . 12.078 78.866 48.532 1.00 38.60 3663 3688 C 'CB' MET 467 1 1 '470' . 11.263 80.135 48.765 1.00 38.56 3664 3689 C 'CG' MET 467 1 1 '470' . 10.519 80.139 50.071 1.00 40.53 3665 3690 S 'SD' MET 467 1 1 '470' . 9.235 81.432 50.018 1.00 45.07 3666 3691 C 'CE' MET 467 1 1 '470' . 10.287 82.860 50.468 1.00 38.14 3667 3692 C 'C' MET 467 1 1 '470' . 12.488 78.836 47.067 1.00 38.43 3668 3693 O 'O' MET 467 1 1 '470' . 11.784 78.214 46.218 1.00 37.22 3669 3694 N 'N' HIS 468 1 1 '471' . 13.616 79.497 46.772 1.00 37.72 3670 3695 C 'CA' HIS 468 1 1 '471' . 14.068 79.571 45.395 1.00 36.69 3671 3696 C 'CB' HIS 468 1 1 '471' . 15.031 80.756 45.172 1.00 38.24 3672 3697 C 'CG' HIS 468 1 1 '471' . 15.312 81.020 43.722 1.00 37.94 3673 3698 C 'CD2' HIS 468 1 1 '471' . 16.467 80.984 43.013 1.00 39.03 3674 3699 N 'ND1' HIS 468 1 1 '471' . 14.315 81.316 42.813 1.00 39.08 3675 3700 C 'CE1' HIS 468 1 1 '471' . 14.842 81.453 41.607 1.00 37.87 3676 3701 N 'NE2' HIS 468 1 1 '471' . 16.146 81.259 41.702 1.00 40.09 3677 3702 C 'C' HIS 468 1 1 '471' . 14.690 78.241 45.003 1.00 36.37 3678 3703 O 'O' HIS 468 1 1 '471' . 14.600 77.810 43.842 1.00 36.52 3679 3704 N 'N' TYR 469 1 1 '472' . 15.309 77.569 45.963 1.00 35.40 3680 3705 C 'CA' TYR 469 1 1 '472' . 15.848 76.233 45.679 1.00 35.42 3681 3706 C 'CB' TYR 469 1 1 '472' . 16.583 75.619 46.865 1.00 35.93 3682 3707 C 'CG' TYR 469 1 1 '472' . 17.937 76.158 47.216 1.00 38.12 3683 3708 C 'CD1' TYR 469 1 1 '472' . 18.851 76.556 46.230 1.00 39.37 3684 3709 C 'CE1' TYR 469 1 1 '472' . 20.160 76.922 46.576 1.00 39.54 3685 3710 C 'CD2' TYR 469 1 1 '472' . 18.364 76.136 48.558 1.00 38.85 3686 3711 C 'CE2' TYR 469 1 1 '472' . 19.647 76.470 48.916 1.00 39.32 3687 3712 C 'CZ' TYR 469 1 1 '472' . 20.547 76.868 47.932 1.00 41.42 3688 3713 O 'OH' TYR 469 1 1 '472' . 21.823 77.218 48.337 1.00 44.25 3689 3714 C 'C' TYR 469 1 1 '472' . 14.655 75.282 45.411 1.00 34.46 3690 3715 O 'O' TYR 469 1 1 '472' . 14.675 74.508 44.446 1.00 32.60 3691 3716 N 'N' TRP 470 1 1 '473' . 13.636 75.331 46.278 1.00 32.87 3692 3717 C 'CA' TRP 470 1 1 '473' . 12.517 74.398 46.104 1.00 32.26 3693 3718 C 'CB' TRP 470 1 1 '473' . 11.521 74.511 47.268 1.00 29.64 3694 3719 C 'CG' TRP 470 1 1 '473' . 11.648 73.501 48.429 1.00 29.46 3695 3720 C 'CD2' TRP 470 1 1 '473' . 12.837 73.182 49.207 1.00 28.33 3696 3721 C 'CE2' TRP 470 1 1 '473' . 12.407 72.411 50.329 1.00 27.02 3697 3722 C 'CE3' TRP 470 1 1 '473' . 14.221 73.482 49.069 1.00 27.28 3698 3723 C 'CD1' TRP 470 1 1 '473' . 10.593 72.899 49.091 1.00 26.17 3699 3724 N 'NE1' TRP 470 1 1 '473' . 11.049 72.262 50.231 1.00 28.46 3700 3725 C 'CZ2' TRP 470 1 1 '473' . 13.304 71.935 51.312 1.00 26.56 3701 3726 C 'CZ3' TRP 470 1 1 '473' . 15.108 73.016 50.035 1.00 27.55 3702 3727 C 'CH2' TRP 470 1 1 '473' . 14.638 72.236 51.165 1.00 26.73 3703 3728 C 'C' TRP 470 1 1 '473' . 11.781 74.643 44.777 1.00 33.20 3704 3729 O 'O' TRP 470 1 1 '473' . 11.485 73.708 44.042 1.00 33.14 3705 3730 N 'N' ALA 471 1 1 '474' . 11.490 75.910 44.474 1.00 33.78 3706 3731 C 'CA' ALA 471 1 1 '474' . 10.773 76.263 43.244 1.00 32.67 3707 3732 C 'CB' ALA 471 1 1 '474' . 10.306 77.716 43.304 1.00 30.67 3708 3733 C 'C' ALA 471 1 1 '474' . 11.625 76.046 41.998 1.00 32.13 3709 3734 O 'O' ALA 471 1 1 '474' . 11.122 75.628 40.967 1.00 32.18 3710 3735 N 'N' THR 472 1 1 '475' . 12.906 76.338 42.082 1.00 33.38 3711 3736 C 'CA' THR 472 1 1 '475' . 13.784 76.120 40.931 1.00 34.53 3712 3737 C 'CB' THR 472 1 1 '475' . 15.182 76.671 41.154 1.00 34.46 3713 3738 O 'OG1' THR 472 1 1 '475' . 15.105 78.090 41.410 1.00 33.88 3714 3739 C 'CG2' THR 472 1 1 '475' . 16.042 76.383 39.910 1.00 31.86 3715 3740 C 'C' THR 472 1 1 '475' . 13.891 74.610 40.699 1.00 35.34 3716 3741 O 'O' THR 472 1 1 '475' . 13.918 74.149 39.549 1.00 36.10 3717 3742 N 'N' PHE 473 1 1 '476' . 13.984 73.834 41.782 1.00 34.36 3718 3743 C 'CA' PHE 473 1 1 '476' . 14.000 72.382 41.607 1.00 33.53 3719 3744 C 'CB' PHE 473 1 1 '476' . 14.239 71.654 42.956 1.00 32.94 3720 3745 C 'CG' PHE 473 1 1 '476' . 13.948 70.176 42.891 1.00 34.21 3721 3746 C 'CD1' PHE 473 1 1 '476' . 14.926 69.274 42.447 1.00 33.99 3722 3747 C 'CD2' PHE 473 1 1 '476' . 12.687 69.687 43.225 1.00 33.70 3723 3748 C 'CE1' PHE 473 1 1 '476' . 14.667 67.905 42.345 1.00 32.10 3724 3749 C 'CE2' PHE 473 1 1 '476' . 12.409 68.300 43.119 1.00 34.44 3725 3750 C 'CZ' PHE 473 1 1 '476' . 13.405 67.409 42.685 1.00 32.72 3726 3751 C 'C' PHE 473 1 1 '476' . 12.625 71.902 40.996 1.00 32.67 3727 3752 O 'O' PHE 473 1 1 '476' . 12.593 71.031 40.089 1.00 31.97 3728 3753 N 'N' ALA 474 1 1 '477' . 11.507 72.447 41.488 1.00 30.77 3729 3754 C 'CA' ALA 474 1 1 '477' . 10.194 72.030 40.985 1.00 31.76 3730 3755 C 'CB' ALA 474 1 1 '477' . 9.095 72.736 41.735 1.00 29.93 3731 3756 C 'C' ALA 474 1 1 '477' . 10.093 72.336 39.492 1.00 34.93 3732 3757 O 'O' ALA 474 1 1 '477' . 9.518 71.539 38.709 1.00 35.56 3733 3758 N 'N' LYS 475 1 1 '478' . 10.675 73.468 39.080 1.00 35.46 3734 3759 C 'CA' LYS 475 1 1 '478' . 10.602 73.831 37.679 1.00 38.65 3735 3760 C 'CB' LYS 475 1 1 '478' . 10.787 75.351 37.491 1.00 42.80 3736 3761 C 'CG' LYS 475 1 1 '478' . 10.779 75.782 35.984 1.00 45.74 3737 3762 C 'CD' LYS 475 1 1 '478' . 10.648 77.296 35.835 1.00 48.91 3738 3763 C 'CE' LYS 475 1 1 '478' . 11.993 78.046 35.873 1.00 53.04 3739 3764 N 'NZ' LYS 475 1 1 '478' . 12.013 79.084 34.744 1.00 55.49 3740 3765 C 'C' LYS 475 1 1 '478' . 11.541 73.092 36.744 1.00 38.08 3741 3766 O 'O' LYS 475 1 1 '478' . 11.154 72.734 35.630 1.00 38.63 3742 3767 N 'N' THR 476 1 1 '479' . 12.752 72.810 37.211 1.00 38.80 3743 3768 C 'CA' THR 476 1 1 '479' . 13.745 72.157 36.371 1.00 38.79 3744 3769 C 'CB' THR 476 1 1 '479' . 14.974 73.066 36.203 1.00 39.53 3745 3770 O 'OG1' THR 476 1 1 '479' . 15.686 73.114 37.452 1.00 39.38 3746 3771 C 'CG2' THR 476 1 1 '479' . 14.536 74.522 35.796 1.00 39.72 3747 3772 C 'C' THR 476 1 1 '479' . 14.308 70.804 36.770 1.00 39.10 3748 3773 O 'O' THR 476 1 1 '479' . 14.935 70.151 35.955 1.00 38.60 3749 3774 N 'N' GLY 477 1 1 '480' . 14.111 70.379 38.007 1.00 39.10 3750 3775 C 'CA' GLY 477 1 1 '480' . 14.705 69.124 38.442 1.00 37.46 3751 3776 C 'C' GLY 477 1 1 '480' . 16.100 69.386 39.023 1.00 37.09 3752 3777 O 'O' GLY 477 1 1 '480' . 16.844 68.444 39.260 1.00 35.78 3753 3778 N 'N' ASN 478 1 1 '481' . 16.446 70.666 39.233 1.00 36.85 3754 3779 C 'CA' ASN 478 1 1 '481' . 17.754 71.099 39.760 1.00 37.57 3755 3780 C 'CB' ASN 478 1 1 '481' . 18.684 71.458 38.589 1.00 40.02 3756 3781 C 'CG' ASN 478 1 1 '481' . 20.138 71.749 39.023 1.00 40.73 3757 3782 O 'OD1' ASN 478 1 1 '481' . 20.410 72.180 40.144 1.00 41.76 3758 3783 N 'ND2' ASN 478 1 1 '481' . 21.072 71.515 38.106 1.00 40.13 3759 3784 C 'C' ASN 478 1 1 '481' . 17.526 72.368 40.603 1.00 37.64 3760 3785 O 'O' ASN 478 1 1 '481' . 17.053 73.377 40.090 1.00 37.22 3761 3786 N 'N' PRO 479 1 1 '482' . 17.851 72.337 41.909 1.00 38.63 3762 3787 C 'CD' PRO 479 1 1 '482' . 18.575 71.302 42.671 1.00 38.46 3763 3788 C 'CA' PRO 479 1 1 '482' . 17.633 73.542 42.734 1.00 39.73 3764 3789 C 'CB' PRO 479 1 1 '482' . 17.945 73.060 44.133 1.00 38.34 3765 3790 C 'CG' PRO 479 1 1 '482' . 19.116 72.092 43.865 1.00 37.70 3766 3791 C 'C' PRO 479 1 1 '482' . 18.521 74.742 42.371 1.00 41.45 3767 3792 O 'O' PRO 479 1 1 '482' . 18.242 75.871 42.787 1.00 41.42 3768 3793 N 'N' ASN 480 1 1 '483' . 19.580 74.486 41.613 1.00 42.81 3769 3794 C 'CA' ASN 480 1 1 '483' . 20.509 75.532 41.249 1.00 47.20 3770 3795 C 'CB' ASN 480 1 1 '483' . 21.879 74.950 40.996 1.00 43.80 3771 3796 C 'CG' ASN 480 1 1 '483' . 22.427 74.274 42.204 1.00 43.79 3772 3797 O 'OD1' ASN 480 1 1 '483' . 22.719 74.937 43.213 1.00 41.49 3773 3798 N 'ND2' ASN 480 1 1 '483' . 22.557 72.938 42.137 1.00 38.87 3774 3799 C 'C' ASN 480 1 1 '483' . 20.117 76.327 40.035 1.00 50.14 3775 3800 O 'O' ASN 480 1 1 '483' . 19.586 75.796 39.063 1.00 50.43 3776 3801 N 'N' GLU 481 1 1 '484' . 20.391 77.612 40.126 1.00 55.03 3777 3802 C 'CA' GLU 481 1 1 '484' . 20.161 78.566 39.045 1.00 60.27 3778 3803 C 'CB' GLU 481 1 1 '484' . 20.104 79.960 39.683 1.00 62.66 3779 3804 C 'CG' GLU 481 1 1 '484' . 19.643 81.077 38.793 1.00 65.99 3780 3805 C 'CD' GLU 481 1 1 '484' . 18.208 80.921 38.413 1.00 66.64 3781 3806 O 'OE1' GLU 481 1 1 '484' . 17.338 81.336 39.213 1.00 66.33 3782 3807 O 'OE2' GLU 481 1 1 '484' . 17.973 80.364 37.316 1.00 68.50 3783 3808 C 'C' GLU 481 1 1 '484' . 21.416 78.398 38.128 1.00 61.96 3784 3809 O 'O' GLU 481 1 1 '484' . 22.550 78.546 38.583 1.00 61.07 3785 3810 N 'N' PRO 482 1 1 '485' . 21.226 78.043 36.841 1.00 65.12 3786 3811 C 'CD' PRO 482 1 1 '485' . 19.911 77.902 36.185 1.00 66.28 3787 3812 C 'CA' PRO 482 1 1 '485' . 22.325 77.848 35.863 1.00 66.88 3788 3813 C 'CB' PRO 482 1 1 '485' . 21.674 78.227 34.514 1.00 67.16 3789 3814 C 'CG' PRO 482 1 1 '485' . 20.162 78.519 34.828 1.00 66.62 3790 3815 C 'C' PRO 482 1 1 '485' . 23.693 78.569 36.092 1.00 67.73 3791 3816 O 'O' PRO 482 1 1 '485' . 23.959 79.690 35.610 1.00 67.92 3792 3817 N 'N' SER 483 1 1 '490' . 26.886 79.756 44.326 1.00 52.41 3793 3818 C 'CA' SER 483 1 1 '490' . 27.412 78.643 45.172 1.00 54.96 3794 3819 C 'CB' SER 483 1 1 '490' . 27.455 79.082 46.658 1.00 56.89 3795 3820 O 'OG' SER 483 1 1 '490' . 28.436 78.342 47.393 1.00 60.40 3796 3821 C 'C' SER 483 1 1 '490' . 26.519 77.376 44.981 1.00 52.35 3797 3822 O 'O' SER 483 1 1 '490' . 25.340 77.403 45.311 1.00 50.58 3798 3823 N 'N' LYS 484 1 1 '491' . 27.103 76.294 44.454 1.00 51.37 3799 3824 C 'CA' LYS 484 1 1 '491' . 26.365 75.072 44.093 1.00 52.64 3800 3825 C 'CB' LYS 484 1 1 '491' . 27.022 74.400 42.869 1.00 54.92 3801 3826 C 'CG' LYS 484 1 1 '491' . 27.064 75.261 41.631 1.00 58.96 3802 3827 C 'CD' LYS 484 1 1 '491' . 25.821 76.130 41.585 1.00 62.24 3803 3828 C 'CE' LYS 484 1 1 '491' . 25.990 77.343 40.689 1.00 64.21 3804 3829 N 'NZ' LYS 484 1 1 '491' . 24.688 78.066 40.673 1.00 66.55 3805 3830 C 'C' LYS 484 1 1 '491' . 26.023 73.930 45.056 1.00 51.24 3806 3831 O 'O' LYS 484 1 1 '491' . 26.910 73.403 45.756 1.00 51.66 3807 3832 N 'N' TRP 485 1 1 '492' . 24.739 73.539 45.037 1.00 46.71 3808 3833 C 'CA' TRP 485 1 1 '492' . 24.227 72.428 45.838 1.00 42.24 3809 3834 C 'CB' TRP 485 1 1 '492' . 22.717 72.474 45.922 1.00 39.84 3810 3835 C 'CG' TRP 485 1 1 '492' . 22.070 71.472 46.860 1.00 38.26 3811 3836 C 'CD2' TRP 485 1 1 '492' . 20.778 71.584 47.454 1.00 36.38 3812 3837 C 'CE2' TRP 485 1 1 '492' . 20.534 70.374 48.151 1.00 36.37 3813 3838 C 'CE3' TRP 485 1 1 '492' . 19.804 72.584 47.471 1.00 36.16 3814 3839 C 'CD1' TRP 485 1 1 '492' . 22.550 70.233 47.219 1.00 37.17 3815 3840 N 'NE1' TRP 485 1 1 '492' . 21.637 69.575 47.985 1.00 37.84 3816 3841 C 'CZ2' TRP 485 1 1 '492' . 19.354 70.141 48.855 1.00 32.76 3817 3842 C 'CZ3' TRP 485 1 1 '492' . 18.631 72.356 48.172 1.00 35.47 3818 3843 C 'CH2' TRP 485 1 1 '492' . 18.415 71.133 48.859 1.00 34.52 3819 3844 C 'C' TRP 485 1 1 '492' . 24.625 71.299 44.943 1.00 41.80 3820 3845 O 'O' TRP 485 1 1 '492' . 24.084 71.142 43.855 1.00 41.97 3821 3846 N 'N' PRO 486 1 1 '493' . 25.586 70.481 45.363 1.00 40.78 3822 3847 C 'CD' PRO 486 1 1 '493' . 26.489 70.503 46.516 1.00 39.75 3823 3848 C 'CA' PRO 486 1 1 '493' . 25.943 69.403 44.428 1.00 40.26 3824 3849 C 'CB' PRO 486 1 1 '493' . 27.331 68.971 44.911 1.00 39.81 3825 3850 C 'CG' PRO 486 1 1 '493' . 27.225 69.146 46.360 1.00 39.34 3826 3851 C 'C' PRO 486 1 1 '493' . 24.962 68.243 44.430 1.00 40.88 3827 3852 O 'O' PRO 486 1 1 '493' . 24.263 68.008 45.421 1.00 39.31 3828 3853 N 'N' LEU 487 1 1 '494' . 24.916 67.541 43.307 1.00 40.10 3829 3854 C 'CA' LEU 487 1 1 '494' . 24.074 66.380 43.147 1.00 40.69 3830 3855 C 'CB' LEU 487 1 1 '494' . 24.178 65.953 41.688 1.00 42.14 3831 3856 C 'CG' LEU 487 1 1 '494' . 23.226 65.054 40.894 1.00 44.87 3832 3857 C 'CD1' LEU 487 1 1 '494' . 21.793 65.588 40.875 1.00 44.43 3833 3858 C 'CD2' LEU 487 1 1 '494' . 23.756 65.002 39.464 1.00 45.88 3834 3859 C 'C' LEU 487 1 1 '494' . 24.573 65.268 44.124 1.00 41.20 3835 3860 O 'O' LEU 487 1 1 '494' . 25.778 65.131 44.389 1.00 41.60 3836 3861 N 'N' PHE 488 1 1 '495' . 23.638 64.537 44.729 1.00 40.27 3837 3862 C 'CA' PHE 488 1 1 '495' . 23.967 63.429 45.607 1.00 37.56 3838 3863 C 'CB' PHE 488 1 1 '495' . 22.789 63.140 46.572 1.00 36.19 3839 3864 C 'CG' PHE 488 1 1 '495' . 22.930 61.838 47.356 1.00 33.86 3840 3865 C 'CD1' PHE 488 1 1 '495' . 22.593 60.609 46.771 1.00 33.41 3841 3866 C 'CD2' PHE 488 1 1 '495' . 23.451 61.842 48.667 1.00 34.23 3842 3867 C 'CE1' PHE 488 1 1 '495' . 22.777 59.395 47.484 1.00 34.15 3843 3868 C 'CE2' PHE 488 1 1 '495' . 23.634 60.645 49.387 1.00 33.99 3844 3869 C 'CZ' PHE 488 1 1 '495' . 23.300 59.427 48.799 1.00 34.61 3845 3870 C 'C' PHE 488 1 1 '495' . 24.161 62.272 44.639 1.00 38.64 3846 3871 O 'O' PHE 488 1 1 '495' . 23.301 62.026 43.798 1.00 38.94 3847 3872 N 'N' THR 489 1 1 '496' . 25.288 61.571 44.712 1.00 39.92 3848 3873 C 'CA' THR 489 1 1 '496' . 25.504 60.431 43.810 1.00 41.41 3849 3874 C 'CB' THR 489 1 1 '496' . 26.690 60.650 42.811 1.00 40.64 3850 3875 O 'OG1' THR 489 1 1 '496' . 27.916 60.812 43.548 1.00 41.14 3851 3876 C 'CG2' THR 489 1 1 '496' . 26.452 61.879 41.948 1.00 36.15 3852 3877 C 'C' THR 489 1 1 '496' . 25.817 59.209 44.650 1.00 42.98 3853 3878 O 'O' THR 489 1 1 '496' . 26.181 59.328 45.817 1.00 43.37 3854 3879 N 'N' THR 490 1 1 '497' . 25.661 58.039 44.050 1.00 45.43 3855 3880 C 'CA' THR 490 1 1 '497' . 25.918 56.775 44.731 1.00 47.34 3856 3881 C 'CB' THR 490 1 1 '497' . 25.751 55.624 43.738 1.00 49.24 3857 3882 O 'OG1' THR 490 1 1 '497' . 24.409 55.624 43.232 1.00 51.45 3858 3883 C 'CG2' THR 490 1 1 '497' . 26.034 54.315 44.413 1.00 49.72 3859 3884 C 'C' THR 490 1 1 '497' . 27.333 56.722 45.319 1.00 47.35 3860 3885 O 'O' THR 490 1 1 '497' . 27.554 56.281 46.463 1.00 45.41 3861 3886 N 'N' LYS 491 1 1 '498' . 28.282 57.208 44.523 1.00 47.36 3862 3887 C 'CA' LYS 491 1 1 '498' . 29.683 57.212 44.898 1.00 47.89 3863 3888 C 'CB' LYS 491 1 1 '498' . 30.559 57.402 43.648 1.00 48.78 3864 3889 C 'CG' LYS 491 1 1 '498' . 32.054 57.261 43.924 1.00 50.95 3865 3893 C 'C' LYS 491 1 1 '498' . 30.072 58.246 45.927 1.00 47.78 3866 3894 O 'O' LYS 491 1 1 '498' . 30.639 57.908 46.979 1.00 48.01 3867 3895 N 'N' GLU 492 1 1 '499' . 29.772 59.506 45.630 1.00 47.56 3868 3896 C 'CA' GLU 492 1 1 '499' . 30.153 60.613 46.509 1.00 46.29 3869 3897 C 'CB' GLU 492 1 1 '499' . 30.277 61.876 45.663 1.00 51.35 3870 3898 C 'CG' GLU 492 1 1 '499' . 31.673 62.413 45.455 1.00 57.77 3871 3899 C 'CD' GLU 492 1 1 '499' . 32.582 61.356 44.943 1.00 60.75 3872 3900 O 'OE1' GLU 492 1 1 '499' . 32.101 60.597 44.077 1.00 63.02 3873 3901 O 'OE2' GLU 492 1 1 '499' . 33.758 61.291 45.400 1.00 63.94 3874 3902 C 'C' GLU 492 1 1 '499' . 29.259 60.921 47.726 1.00 43.18 3875 3903 O 'O' GLU 492 1 1 '499' . 29.743 61.419 48.749 1.00 40.61 3876 3904 N 'N' GLN 493 1 1 '500' . 27.957 60.670 47.587 1.00 40.26 3877 3905 C 'CA' GLN 493 1 1 '500' . 26.974 60.920 48.660 1.00 38.25 3878 3906 C 'CB' GLN 493 1 1 '500' . 27.120 59.812 49.708 1.00 38.33 3879 3907 C 'CG' GLN 493 1 1 '500' . 26.887 58.454 49.049 1.00 38.26 3880 3908 C 'CD' GLN 493 1 1 '500' . 27.172 57.282 49.970 1.00 40.23 3881 3909 O 'OE1' GLN 493 1 1 '500' . 26.829 57.318 51.135 1.00 37.65 3882 3910 N 'NE2' GLN 493 1 1 '500' . 27.791 56.234 49.435 1.00 37.81 3883 3911 C 'C' GLN 493 1 1 '500' . 27.002 62.318 49.318 1.00 36.55 3884 3912 O 'O' GLN 493 1 1 '500' . 26.807 62.456 50.504 1.00 34.79 3885 3913 N 'N' LYS 494 1 1 '501' . 27.231 63.352 48.518 1.00 35.41 3886 3914 C 'CA' LYS 494 1 1 '501' . 27.298 64.716 49.009 1.00 36.55 3887 3915 C 'CB' LYS 494 1 1 '501' . 27.891 65.614 47.918 1.00 36.64 3888 3916 C 'CG' LYS 494 1 1 '501' . 29.304 65.164 47.454 1.00 43.63 3889 3917 C 'CD' LYS 494 1 1 '501' . 29.885 66.139 46.400 1.00 46.23 3890 3918 C 'CE' LYS 494 1 1 '501' . 31.375 65.863 46.091 1.00 47.12 3891 3919 N 'NZ' LYS 494 1 1 '501' . 31.765 66.646 44.858 1.00 50.05 3892 3920 C 'C' LYS 494 1 1 '501' . 25.932 65.293 49.427 1.00 36.19 3893 3921 O 'O' LYS 494 1 1 '501' . 24.883 64.903 48.897 1.00 36.61 3894 3922 N 'N' PHE 495 1 1 '502' . 25.958 66.206 50.373 1.00 33.73 3895 3923 C 'CA' PHE 495 1 1 '502' . 24.743 66.887 50.795 1.00 35.72 3896 3924 C 'CB' PHE 495 1 1 '502' . 24.030 66.123 51.933 1.00 31.83 3897 3925 C 'CG' PHE 495 1 1 '502' . 24.809 66.060 53.226 1.00 30.64 3898 3926 C 'CD1' PHE 495 1 1 '502' . 24.575 66.983 54.245 1.00 30.55 3899 3927 C 'CD2' PHE 495 1 1 '502' . 25.701 64.996 53.465 1.00 30.64 3900 3928 C 'CE1' PHE 495 1 1 '502' . 25.195 66.860 55.516 1.00 29.81 3901 3929 C 'CE2' PHE 495 1 1 '502' . 26.338 64.846 54.722 1.00 30.98 3902 3930 C 'CZ' PHE 495 1 1 '502' . 26.080 65.784 55.762 1.00 31.30 3903 3931 C 'C' PHE 495 1 1 '502' . 25.240 68.243 51.292 1.00 36.56 3904 3932 O 'O' PHE 495 1 1 '502' . 26.448 68.422 51.450 1.00 37.17 3905 3933 N 'N' ILE 496 1 1 '503' . 24.330 69.182 51.538 1.00 37.45 3906 3934 C 'CA' ILE 496 1 1 '503' . 24.717 70.494 52.045 1.00 36.47 3907 3935 C 'CB' ILE 496 1 1 '503' . 24.304 71.636 51.081 1.00 37.75 3908 3936 C 'CG2' ILE 496 1 1 '503' . 25.012 71.468 49.741 1.00 35.25 3909 3937 C 'CG1' ILE 496 1 1 '503' . 22.776 71.650 50.922 1.00 37.92 3910 3938 C 'CD1' ILE 496 1 1 '503' . 22.229 72.875 50.226 1.00 40.07 3911 3939 C 'C' ILE 496 1 1 '503' . 24.010 70.763 53.363 1.00 36.85 3912 3940 O 'O' ILE 496 1 1 '503' . 23.023 70.117 53.691 1.00 34.03 3913 3941 N 'N' ASP 497 1 1 '504' . 24.549 71.690 54.145 1.00 38.29 3914 3942 C 'CA' ASP 497 1 1 '504' . 23.880 72.071 55.373 1.00 40.29 3915 3943 C 'CB' ASP 497 1 1 '504' . 24.834 72.633 56.436 1.00 42.72 3916 3944 C 'CG' ASP 497 1 1 '504' . 25.895 71.629 56.895 1.00 46.03 3917 3945 O 'OD1' ASP 497 1 1 '504' . 25.581 70.436 57.090 1.00 47.92 3918 3946 O 'OD2' ASP 497 1 1 '504' . 27.060 72.041 57.092 1.00 47.50 3919 3947 C 'C' ASP 497 1 1 '504' . 23.027 73.215 54.840 1.00 40.38 3920 3948 O 'O' ASP 497 1 1 '504' . 23.400 73.896 53.862 1.00 40.90 3921 3949 N 'N' LEU 498 1 1 '505' . 21.902 73.444 55.487 1.00 39.51 3922 3950 C 'CA' LEU 498 1 1 '505' . 20.992 74.496 55.095 1.00 39.45 3923 3951 C 'CB' LEU 498 1 1 '505' . 19.695 73.842 54.656 1.00 38.80 3924 3952 C 'CG' LEU 498 1 1 '505' . 18.920 74.368 53.476 1.00 40.95 3925 3953 C 'CD1' LEU 498 1 1 '505' . 19.807 74.838 52.310 1.00 37.28 3926 3954 C 'CD2' LEU 498 1 1 '505' . 17.990 73.254 53.079 1.00 38.90 3927 3955 C 'C' LEU 498 1 1 '505' . 20.823 75.346 56.350 1.00 40.19 3928 3956 O 'O' LEU 498 1 1 '505' . 20.148 74.953 57.323 1.00 40.41 3929 3957 N 'N' ASN 499 1 1 '506' . 21.494 76.488 56.367 1.00 41.58 3930 3958 C 'CA' ASN 499 1 1 '506' . 21.439 77.391 57.531 1.00 42.70 3931 3959 C 'CB' ASN 499 1 1 '506' . 22.347 76.840 58.648 1.00 40.90 3932 3960 C 'CG' ASN 499 1 1 '506' . 23.777 76.673 58.184 1.00 41.53 3933 3961 O 'OD1' ASN 499 1 1 '506' . 24.289 77.540 57.506 1.00 41.36 3934 3962 N 'ND2' ASN 499 1 1 '506' . 24.428 75.569 58.550 1.00 41.43 3935 3963 C 'C' ASN 499 1 1 '506' . 21.875 78.807 57.110 1.00 43.63 3936 3964 O 'O' ASN 499 1 1 '506' . 21.892 79.118 55.918 1.00 44.69 3937 3965 N 'N' THR 500 1 1 '507' . 22.220 79.671 58.056 1.00 44.60 3938 3966 C 'CA' THR 500 1 1 '507' . 22.588 81.051 57.700 1.00 45.97 3939 3967 C 'CB' THR 500 1 1 '507' . 22.175 82.024 58.823 1.00 45.45 3940 3968 O 'OG1' THR 500 1 1 '507' . 22.763 81.572 60.053 1.00 44.30 3941 3969 C 'CG2' THR 500 1 1 '507' . 20.657 82.069 58.981 1.00 42.68 3942 3970 C 'C' THR 500 1 1 '507' . 24.071 81.306 57.367 1.00 47.53 3943 3971 O 'O' THR 500 1 1 '507' . 24.441 82.424 56.989 1.00 48.36 3944 3972 N 'N' GLU 501 1 1 '508' . 24.899 80.277 57.526 1.00 47.84 3945 3973 C 'CA' GLU 501 1 1 '508' . 26.335 80.329 57.271 1.00 48.16 3946 3974 C 'CB' GLU 501 1 1 '508' . 27.075 79.244 58.085 1.00 47.28 3947 3975 C 'CG' GLU 501 1 1 '508' . 27.106 79.447 59.615 1.00 49.48 3948 3976 C 'CD' GLU 501 1 1 '508' . 25.923 80.283 60.138 1.00 50.18 3949 3979 C 'C' GLU 501 1 1 '508' . 26.514 80.035 55.799 1.00 50.05 3950 3980 O 'O' GLU 501 1 1 '508' . 25.560 79.636 55.134 1.00 50.25 3951 3981 N 'N' PRO 502 1 1 '509' . 27.728 80.259 55.261 1.00 52.01 3952 3982 C 'CD' PRO 502 1 1 '509' . 28.818 81.031 55.902 1.00 52.67 3953 3983 C 'CA' PRO 502 1 1 '509' . 28.032 80.000 53.850 1.00 52.80 3954 3984 C 'CB' PRO 502 1 1 '509' . 29.481 80.482 53.703 1.00 52.60 3955 3985 C 'CG' PRO 502 1 1 '509' . 29.583 81.574 54.720 1.00 53.29 3956 3986 C 'C' PRO 502 1 1 '509' . 27.940 78.496 53.610 1.00 53.21 3957 3987 O 'O' PRO 502 1 1 '509' . 28.473 77.702 54.377 1.00 53.67 3958 3988 N 'N' MET 503 1 1 '510' . 27.287 78.113 52.529 1.00 53.83 3959 3989 C 'CA' MET 503 1 1 '510' . 27.121 76.720 52.189 1.00 53.53 3960 3990 C 'CB' MET 503 1 1 '510' . 26.721 76.610 50.722 1.00 54.88 3961 3991 C 'CG' MET 503 1 1 '510' . 26.622 75.166 50.210 1.00 55.39 3962 3992 S 'SD' MET 503 1 1 '510' . 26.070 75.047 48.505 1.00 56.73 3963 3993 C 'CE' MET 503 1 1 '510' . 24.436 75.711 48.686 1.00 55.84 3964 3994 C 'C' MET 503 1 1 '510' . 28.370 75.886 52.399 1.00 53.12 3965 3995 O 'O' MET 503 1 1 '510' . 29.438 76.282 51.966 1.00 53.90 3966 3996 N 'N' LYS 504 1 1 '511' . 28.243 74.752 53.090 1.00 51.57 3967 3997 C 'CA' LYS 504 1 1 '511' . 29.360 73.808 53.256 1.00 49.93 3968 3998 C 'CB' LYS 504 1 1 '511' . 29.750 73.617 54.721 1.00 49.33 3969 3999 C 'CG' LYS 504 1 1 '511' . 30.233 74.860 55.424 1.00 51.12 3970 4003 C 'C' LYS 504 1 1 '511' . 28.796 72.481 52.697 1.00 49.09 3971 4004 O 'O' LYS 504 1 1 '511' . 27.622 72.150 52.903 1.00 50.22 3972 4005 N 'N' VAL 505 1 1 '512' . 29.614 71.743 51.973 1.00 46.54 3973 4006 C 'CA' VAL 505 1 1 '512' . 29.212 70.474 51.389 1.00 44.62 3974 4007 C 'CB' VAL 505 1 1 '512' . 29.737 70.374 49.931 1.00 43.87 3975 4008 C 'CG1' VAL 505 1 1 '512' . 29.607 68.948 49.382 1.00 42.75 3976 4009 C 'CG2' VAL 505 1 1 '512' . 29.004 71.381 49.062 1.00 42.19 3977 4010 C 'C' VAL 505 1 1 '512' . 29.862 69.384 52.232 1.00 44.53 3978 4011 O 'O' VAL 505 1 1 '512' . 31.028 69.528 52.634 1.00 43.98 3979 4012 N 'N' HIS 506 1 1 '513' . 29.121 68.320 52.542 1.00 42.72 3980 4013 C 'CA' HIS 506 1 1 '513' . 29.705 67.205 53.298 1.00 41.06 3981 4014 C 'CB' HIS 506 1 1 '513' . 29.166 67.091 54.702 1.00 40.99 3982 4015 C 'CG' HIS 506 1 1 '513' . 29.112 68.371 55.453 1.00 42.62 3983 4016 C 'CD2' HIS 506 1 1 '513' . 28.067 69.181 55.749 1.00 44.37 3984 4017 N 'ND1' HIS 506 1 1 '513' . 30.205 68.890 56.115 1.00 44.36 3985 4018 C 'CE1' HIS 506 1 1 '513' . 29.832 69.960 56.799 1.00 44.58 3986 4019 N 'NE2' HIS 506 1 1 '513' . 28.541 70.159 56.593 1.00 45.82 3987 4020 C 'C' HIS 506 1 1 '513' . 29.347 65.892 52.622 1.00 41.46 3988 4021 O 'O' HIS 506 1 1 '513' . 28.647 65.847 51.596 1.00 41.59 3989 4022 N 'N' GLN 507 1 1 '514' . 29.771 64.800 53.240 1.00 40.96 3990 4023 C 'CA' GLN 507 1 1 '514' . 29.479 63.517 52.669 1.00 40.12 3991 4024 C 'CB' GLN 507 1 1 '514' . 30.743 62.974 51.979 1.00 41.73 3992 4025 C 'CG' GLN 507 1 1 '514' . 31.216 63.786 50.783 1.00 45.11 3993 4026 C 'CD' GLN 507 1 1 '514' . 32.508 63.223 50.170 1.00 47.67 3994 4027 O 'OE1' GLN 507 1 1 '514' . 33.621 63.472 50.669 1.00 49.54 3995 4028 N 'NE2' GLN 507 1 1 '514' . 32.359 62.436 49.112 1.00 46.11 3996 4029 C 'C' GLN 507 1 1 '514' . 29.007 62.514 53.699 1.00 38.20 3997 4030 O 'O' GLN 507 1 1 '514' . 29.358 62.592 54.859 1.00 36.78 3998 4031 N 'N' ARG 508 1 1 '515' . 28.219 61.561 53.237 1.00 37.39 3999 4032 C 'CA' ARG 508 1 1 '515' . 27.760 60.460 54.068 1.00 37.76 4000 4033 C 'CB' ARG 508 1 1 '515' . 28.968 59.546 54.338 1.00 39.11 4001 4034 C 'CG' ARG 508 1 1 '515' . 29.578 58.896 53.041 1.00 42.30 4002 4035 C 'CD' ARG 508 1 1 '515' . 30.631 57.807 53.346 1.00 43.45 4003 4036 N 'NE' ARG 508 1 1 '515' . 31.015 57.017 52.168 1.00 48.52 4004 4037 C 'CZ' ARG 508 1 1 '515' . 31.847 55.964 52.192 1.00 48.06 4005 4040 C 'C' ARG 508 1 1 '515' . 27.063 60.830 55.378 1.00 36.40 4006 4041 O 'O' ARG 508 1 1 '515' . 27.530 60.473 56.463 1.00 33.75 4007 4042 N 'N' LEU 509 1 1 '516' . 25.951 61.550 55.241 1.00 35.67 4008 4043 C 'CA' LEU 509 1 1 '516' . 25.121 62.012 56.358 1.00 35.62 4009 4044 C 'CB' LEU 509 1 1 '516' . 23.795 62.584 55.818 1.00 36.21 4010 4045 C 'CG' LEU 509 1 1 '516' . 22.656 63.073 56.717 1.00 36.30 4011 4046 C 'CD1' LEU 509 1 1 '516' . 23.147 63.816 57.914 1.00 39.87 4012 4047 C 'CD2' LEU 509 1 1 '516' . 21.839 64.037 55.869 1.00 37.94 4013 4048 C 'C' LEU 509 1 1 '516' . 24.842 60.904 57.354 1.00 34.83 4014 4049 O 'O' LEU 509 1 1 '516' . 24.194 59.895 57.028 1.00 33.96 4015 4050 N 'N' ARG 510 1 1 '517' . 25.320 61.117 58.576 1.00 34.62 4016 4051 C 'CA' ARG 510 1 1 '517' . 25.182 60.145 59.653 1.00 35.12 4017 4052 C 'CB' ARG 510 1 1 '517' . 23.791 60.317 60.368 1.00 36.80 4018 4053 C 'CG' ARG 510 1 1 '517' . 23.940 61.499 61.425 1.00 44.35 4019 4054 C 'CD' ARG 510 1 1 '517' . 22.782 61.942 62.307 1.00 43.86 4020 4055 N 'NE' ARG 510 1 1 '517' . 22.748 61.192 63.551 1.00 47.53 4021 4056 C 'CZ' ARG 510 1 1 '517' . 23.636 61.297 64.544 1.00 48.18 4022 4057 N 'NH1' ARG 510 1 1 '517' . 24.649 62.154 64.438 1.00 48.64 4023 4058 N 'NH2' ARG 510 1 1 '517' . 23.539 60.514 65.633 1.00 43.49 4024 4059 C 'C' ARG 510 1 1 '517' . 25.462 58.683 59.262 1.00 34.15 4025 4060 O 'O' ARG 510 1 1 '517' . 24.745 57.777 59.736 1.00 31.22 4026 4061 N 'N' VAL 511 1 1 '518' . 26.511 58.433 58.438 1.00 33.52 4027 4062 C 'CA' VAL 511 1 1 '518' . 26.796 57.037 58.042 1.00 33.98 4028 4063 C 'CB' VAL 511 1 1 '518' . 28.140 56.707 57.352 1.00 34.90 4029 4064 C 'CG1' VAL 511 1 1 '518' . 27.884 55.986 56.068 1.00 34.02 4030 4065 C 'CG2' VAL 511 1 1 '518' . 29.080 57.849 57.372 1.00 33.48 4031 4066 C 'C' VAL 511 1 1 '518' . 27.002 56.113 59.244 1.00 33.84 4032 4067 O 'O' VAL 511 1 1 '518' . 26.486 55.020 59.259 1.00 32.81 4033 4068 N 'N' GLN 512 1 1 '519' . 27.836 56.548 60.190 1.00 33.90 4034 4069 C 'CA' GLN 512 1 1 '519' . 28.173 55.708 61.334 1.00 35.80 4035 4070 C 'CB' GLN 512 1 1 '519' . 29.095 56.492 62.309 1.00 35.18 4036 4071 C 'CG' GLN 512 1 1 '519' . 29.879 55.581 63.282 1.00 35.96 4037 4072 C 'CD' GLN 512 1 1 '519' . 30.888 54.682 62.560 1.00 37.23 4038 4073 O 'OE1' GLN 512 1 1 '519' . 31.523 55.116 61.581 1.00 36.30 4039 4074 N 'NE2' GLN 512 1 1 '519' . 31.039 53.423 63.029 1.00 36.30 4040 4075 C 'C' GLN 512 1 1 '519' . 26.924 55.166 62.041 1.00 34.26 4041 4076 O 'O' GLN 512 1 1 '519' . 26.750 53.970 62.195 1.00 33.52 4042 4077 N 'N' MET 513 1 1 '520' . 26.041 56.050 62.449 1.00 34.40 4043 4078 C 'CA' MET 513 1 1 '520' . 24.821 55.599 63.114 1.00 34.51 4044 4079 C 'CB' MET 513 1 1 '520' . 24.094 56.792 63.749 1.00 35.26 4045 4080 C 'CG' MET 513 1 1 '520' . 24.854 57.387 64.928 1.00 39.52 4046 4081 S 'SD' MET 513 1 1 '520' . 25.234 56.099 66.190 1.00 45.87 4047 4082 C 'CE' MET 513 1 1 '520' . 26.942 56.018 65.972 1.00 46.32 4048 4083 C 'C' MET 513 1 1 '520' . 23.870 54.852 62.180 1.00 34.17 4049 4084 O 'O' MET 513 1 1 '520' . 23.235 53.871 62.602 1.00 35.24 4050 4085 N 'N' CYS 514 1 1 '521' . 23.769 55.282 60.918 1.00 30.92 4051 4086 C 'CA' CYS 514 1 1 '521' . 22.867 54.607 60.030 1.00 32.21 4052 4087 C 'C' CYS 514 1 1 '521' . 23.324 53.215 59.622 1.00 32.14 4053 4088 O 'O' CYS 514 1 1 '521' . 22.486 52.393 59.315 1.00 32.12 4054 4089 C 'CB' CYS 514 1 1 '521' . 22.503 55.509 58.830 1.00 33.91 4055 4090 S 'SG' CYS 514 1 1 '521' . 21.551 56.989 59.387 1.00 35.51 4056 4091 N 'N' VAL 515 1 1 '522' . 24.626 52.899 59.670 1.00 32.44 4057 4092 C 'CA' VAL 515 1 1 '522' . 25.017 51.514 59.353 1.00 32.73 4058 4093 C 'CB' VAL 515 1 1 '522' . 26.561 51.348 59.238 1.00 34.56 4059 4094 C 'CG1' VAL 515 1 1 '522' . 26.946 49.857 59.298 1.00 31.66 4060 4095 C 'CG2' VAL 515 1 1 '522' . 27.062 51.996 57.891 1.00 30.15 4061 4096 C 'C' VAL 515 1 1 '522' . 24.458 50.665 60.532 1.00 33.85 4062 4097 O 'O' VAL 515 1 1 '522' . 23.974 49.540 60.361 1.00 33.29 4063 4098 N 'N' PHE 516 1 1 '523' . 24.486 51.228 61.729 1.00 31.77 4064 4099 C 'CA' PHE 516 1 1 '523' . 23.935 50.522 62.867 1.00 31.16 4065 4100 C 'CB' PHE 516 1 1 '523' . 24.167 51.302 64.150 1.00 28.33 4066 4101 C 'CG' PHE 516 1 1 '523' . 23.444 50.736 65.313 1.00 29.07 4067 4102 C 'CD1' PHE 516 1 1 '523' . 23.987 49.678 66.029 1.00 31.01 4068 4103 C 'CD2' PHE 516 1 1 '523' . 22.216 51.279 65.722 1.00 30.11 4069 4104 C 'CE1' PHE 516 1 1 '523' . 23.325 49.159 67.166 1.00 32.72 4070 4105 C 'CE2' PHE 516 1 1 '523' . 21.540 50.768 66.848 1.00 31.03 4071 4106 C 'CZ' PHE 516 1 1 '523' . 22.109 49.701 67.575 1.00 32.16 4072 4107 C 'C' PHE 516 1 1 '523' . 22.429 50.272 62.718 1.00 31.53 4073 4108 O 'O' PHE 516 1 1 '523' . 21.973 49.150 62.878 1.00 30.79 4074 4109 N 'N' TRP 517 1 1 '524' . 21.659 51.323 62.438 1.00 31.72 4075 4110 C 'CA' TRP 517 1 1 '524' . 20.206 51.173 62.278 1.00 32.09 4076 4111 C 'CB' TRP 517 1 1 '524' . 19.481 52.525 62.341 1.00 28.63 4077 4112 C 'CG' TRP 517 1 1 '524' . 19.587 53.164 63.705 1.00 28.84 4078 4113 C 'CD2' TRP 517 1 1 '524' . 18.829 52.822 64.869 1.00 26.65 4079 4114 C 'CE2' TRP 517 1 1 '524' . 19.251 53.680 65.899 1.00 28.43 4080 4115 C 'CE3' TRP 517 1 1 '524' . 17.841 51.878 65.138 1.00 25.87 4081 4116 C 'CD1' TRP 517 1 1 '524' . 20.425 54.178 64.074 1.00 25.62 4082 4117 N 'NE1' TRP 517 1 1 '524' . 20.228 54.495 65.374 1.00 27.00 4083 4118 C 'CZ2' TRP 517 1 1 '524' . 18.702 53.625 67.206 1.00 26.74 4084 4119 C 'CZ3' TRP 517 1 1 '524' . 17.300 51.822 66.402 1.00 26.65 4085 4120 C 'CH2' TRP 517 1 1 '524' . 17.727 52.690 67.427 1.00 27.32 4086 4121 C 'C' TRP 517 1 1 '524' . 19.723 50.464 61.011 1.00 33.04 4087 4122 O 'O' TRP 517 1 1 '524' . 18.697 49.803 61.046 1.00 32.09 4088 4123 N 'N' ASN 518 1 1 '525' . 20.446 50.586 59.907 1.00 33.61 4089 4124 C 'CA' ASN 518 1 1 '525' . 19.965 49.969 58.683 1.00 35.59 4090 4125 C 'CB' ASN 518 1 1 '525' . 20.186 50.884 57.488 1.00 33.93 4091 4126 C 'CG' ASN 518 1 1 '525' . 19.410 52.206 57.609 1.00 36.55 4092 4127 O 'OD1' ASN 518 1 1 '525' . 18.309 52.236 58.155 1.00 36.38 4093 4128 N 'ND2' ASN 518 1 1 '525' . 19.976 53.291 57.078 1.00 34.08 4094 4129 C 'C' ASN 518 1 1 '525' . 20.559 48.603 58.383 1.00 38.15 4095 4130 O 'O' ASN 518 1 1 '525' . 19.942 47.841 57.667 1.00 36.87 4096 4131 N 'N' GLN 519 1 1 '526' . 21.749 48.299 58.906 1.00 37.69 4097 4132 C 'CA' GLN 519 1 1 '526' . 22.340 46.994 58.647 1.00 39.05 4098 4133 C 'CB' GLN 519 1 1 '526' . 23.689 47.118 57.960 1.00 41.24 4099 4134 C 'CG' GLN 519 1 1 '526' . 23.649 47.764 56.595 1.00 49.49 4100 4135 C 'CD' GLN 519 1 1 '526' . 25.055 47.869 56.018 1.00 54.94 4101 4136 O 'OE1' GLN 519 1 1 '526' . 25.426 48.907 55.413 1.00 56.03 4102 4137 N 'NE2' GLN 519 1 1 '526' . 25.876 46.789 56.218 1.00 57.13 4103 4138 C 'C' GLN 519 1 1 '526' . 22.515 46.144 59.896 1.00 38.06 4104 4139 O 'O' GLN 519 1 1 '526' . 21.964 45.066 59.945 1.00 39.06 4105 4140 N 'N' PHE 520 1 1 '527' . 23.249 46.615 60.915 1.00 35.23 4106 4141 C 'CA' PHE 520 1 1 '527' . 23.442 45.785 62.080 1.00 34.25 4107 4142 C 'CB' PHE 520 1 1 '527' . 24.537 46.345 63.005 1.00 32.21 4108 4143 C 'CG' PHE 520 1 1 '527' . 24.827 45.435 64.179 1.00 30.21 4109 4144 C 'CD1' PHE 520 1 1 '527' . 25.477 44.214 63.984 1.00 32.26 4110 4145 C 'CD2' PHE 520 1 1 '527' . 24.440 45.782 65.455 1.00 31.79 4111 4146 C 'CE1' PHE 520 1 1 '527' . 25.740 43.363 65.045 1.00 30.98 4112 4147 C 'CE2' PHE 520 1 1 '527' . 24.688 44.948 66.540 1.00 33.11 4113 4148 C 'CZ' PHE 520 1 1 '527' . 25.350 43.720 66.331 1.00 33.39 4114 4149 C 'C' PHE 520 1 1 '527' . 22.233 45.425 62.964 1.00 33.92 4115 4150 O 'O' PHE 520 1 1 '527' . 21.986 44.245 63.188 1.00 33.88 4116 4151 N 'N' LEU 521 1 1 '528' . 21.505 46.405 63.502 1.00 33.72 4117 4152 C 'CA' LEU 521 1 1 '528' . 20.376 46.073 64.380 1.00 34.93 4118 4153 C 'CB' LEU 521 1 1 '528' . 19.679 47.332 64.892 1.00 32.54 4119 4154 C 'CG' LEU 521 1 1 '528' . 18.660 47.080 66.008 1.00 34.91 4120 4155 C 'CD1' LEU 521 1 1 '528' . 19.328 46.393 67.228 1.00 33.87 4121 4156 C 'CD2' LEU 521 1 1 '528' . 18.030 48.453 66.419 1.00 33.91 4122 4157 C 'C' LEU 521 1 1 '528' . 19.349 45.128 63.699 1.00 37.14 4123 4158 O 'O' LEU 521 1 1 '528' . 18.925 44.147 64.290 1.00 38.48 4124 4159 N 'N' PRO 522 1 1 '529' . 18.925 45.426 62.463 1.00 38.85 4125 4160 C 'CD' PRO 522 1 1 '529' . 19.241 46.539 61.553 1.00 37.62 4126 4161 C 'CA' PRO 522 1 1 '529' . 17.958 44.500 61.844 1.00 41.46 4127 4162 C 'CB' PRO 522 1 1 '529' . 17.739 45.099 60.445 1.00 39.68 4128 4163 C 'CG' PRO 522 1 1 '529' . 18.007 46.575 60.672 1.00 39.00 4129 4164 C 'C' PRO 522 1 1 '529' . 18.525 43.055 61.777 1.00 43.06 4130 4165 O 'O' PRO 522 1 1 '529' . 17.804 42.087 62.036 1.00 43.78 4131 4166 N 'N' LYS 523 1 1 '530' . 19.805 42.909 61.426 1.00 43.92 4132 4167 C 'CA' LYS 523 1 1 '530' . 20.404 41.577 61.383 1.00 44.99 4133 4168 C 'CB' LYS 523 1 1 '530' . 21.844 41.663 60.894 1.00 46.80 4134 4169 C 'CG' LYS 523 1 1 '530' . 22.463 40.323 60.528 1.00 51.21 4135 4170 C 'CD' LYS 523 1 1 '530' . 23.730 40.496 59.649 1.00 54.01 4136 4171 C 'CE' LYS 523 1 1 '530' . 24.502 39.141 59.494 1.00 55.78 4137 4172 N 'NZ' LYS 523 1 1 '530' . 25.683 39.193 58.550 1.00 55.75 4138 4173 C 'C' LYS 523 1 1 '530' . 20.327 40.970 62.799 1.00 44.87 4139 4174 O 'O' LYS 523 1 1 '530' . 19.917 39.822 62.981 1.00 44.82 4140 4175 N 'N' LEU 524 1 1 '531' . 20.671 41.770 63.801 1.00 44.19 4141 4176 C 'CA' LEU 524 1 1 '531' . 20.625 41.340 65.177 1.00 44.20 4142 4177 C 'CB' LEU 524 1 1 '531' . 21.105 42.480 66.089 1.00 43.43 4143 4178 C 'CG' LEU 524 1 1 '531' . 21.119 42.193 67.586 1.00 43.14 4144 4179 C 'CD1' LEU 524 1 1 '531' . 21.601 40.827 67.687 1.00 46.89 4145 4180 C 'CD2' LEU 524 1 1 '531' . 22.065 43.078 68.398 1.00 44.43 4146 4181 C 'C' LEU 524 1 1 '531' . 19.231 40.854 65.631 1.00 45.40 4147 4182 O 'O' LEU 524 1 1 '531' . 19.110 39.806 66.262 1.00 43.58 4148 4183 N 'N' LEU 525 1 1 '532' . 18.189 41.629 65.345 1.00 46.61 4149 4184 C 'CA' LEU 525 1 1 '532' . 16.830 41.251 65.747 1.00 48.05 4150 4185 C 'CB' LEU 525 1 1 '532' . 15.843 42.425 65.574 1.00 46.02 4151 4186 C 'CG' LEU 525 1 1 '532' . 16.116 43.665 66.419 1.00 45.29 4152 4187 C 'CD1' LEU 525 1 1 '532' . 15.307 44.866 65.905 1.00 43.95 4153 4188 C 'CD2' LEU 525 1 1 '532' . 15.829 43.336 67.850 1.00 43.88 4154 4189 C 'C' LEU 525 1 1 '532' . 16.331 40.023 64.971 1.00 49.76 4155 4190 O 'O' LEU 525 1 1 '532' . 15.570 39.252 65.519 1.00 48.72 4156 4191 N 'N' ASN 526 1 1 '533' . 16.780 39.844 63.727 1.00 53.18 4157 4192 C 'CA' ASN 526 1 1 '533' . 16.396 38.693 62.886 1.00 57.47 4158 4193 C 'CB' ASN 526 1 1 '533' . 16.792 38.898 61.407 1.00 58.98 4159 4194 C 'CG' ASN 526 1 1 '533' . 16.347 37.719 60.510 1.00 61.79 4160 4195 O 'OD1' ASN 526 1 1 '533' . 15.150 37.472 60.349 1.00 63.92 4161 4196 N 'ND2' ASN 526 1 1 '533' . 17.306 36.985 59.947 1.00 63.42 4162 4197 C 'C' ASN 526 1 1 '533' . 17.039 37.363 63.325 1.00 59.71 4163 4198 O 'O' ASN 526 1 1 '533' . 16.473 36.302 63.105 1.00 58.94 4164 4199 N 'N' ALA 527 1 1 '534' . 18.226 37.421 63.918 1.00 62.37 4165 4200 C 'CA' ALA 527 1 1 '534' . 18.907 36.208 64.324 1.00 64.99 4166 4201 C 'CB' ALA 527 1 1 '534' . 20.407 36.403 64.236 1.00 63.66 4167 4202 C 'C' ALA 527 1 1 '534' . 18.501 35.807 65.734 1.00 67.70 4168 4203 O 'O' ALA 527 1 1 '534' . 18.373 34.620 66.025 1.00 69.16 4169 4204 N 'N' THR 528 1 1 '535' . 18.264 36.795 66.595 1.00 69.84 4170 4205 C 'CA' THR 528 1 1 '535' . 17.883 36.551 67.991 1.00 71.30 4171 4206 C 'CB' THR 528 1 1 '535' . 18.637 37.499 68.950 1.00 71.33 4172 4207 O 'OG1' THR 528 1 1 '535' . 18.119 38.825 68.803 1.00 70.21 4173 4208 C 'CG2' THR 528 1 1 '535' . 20.129 37.516 68.636 1.00 70.79 4174 4209 C 'C' THR 528 1 1 '535' . 16.384 36.748 68.250 1.00 73.28 4175 4210 O 'O' THR 528 1 1 '535' . 15.654 37.021 67.266 1.00 74.69 4176 4211 O 'OXT' THR 528 1 1 '535' . 15.955 36.639 69.438 1.00 73.80 4177 4212 O 'O' HOH . 6 3 '1' . 10.814 68.325 59.490 1.00 30.63 4178 4213 O 'O' HOH . 6 3 '2' . -4.053 69.832 62.261 1.00 28.02 4179 4214 O 'O' HOH . 6 3 '3' . 3.755 68.687 57.721 1.00 27.45 4180 4215 O 'O' HOH . 6 3 '4' . -1.635 69.408 52.639 1.00 27.91 4181 4216 O 'O' HOH . 6 3 '5' . -4.704 70.449 33.705 1.00 31.02 4182 4217 O 'O' HOH . 6 3 '6' . -14.836 59.575 57.149 1.00 33.33 4183 4218 O 'O' HOH . 6 3 '7' . 3.523 66.723 36.367 1.00 28.55 4184 4219 O 'O' HOH . 6 3 '8' . -0.606 63.051 58.809 1.00 28.48 4185 4220 O 'O' HOH . 6 3 '9' . 7.191 52.179 56.386 1.00 27.42 4186 4221 O 'O' HOH . 6 3 '10' . 4.048 63.688 61.074 1.00 36.54 4187 4222 O 'O' HOH . 6 3 '11' . 0.198 69.042 59.477 1.00 34.23 4188 4223 O 'O' HOH . 6 3 '12' . 31.002 58.114 49.799 1.00 43.68 4189 4224 O 'O' HOH . 6 3 '13' . -1.809 57.502 62.349 1.00 28.36 4190 4225 O 'O' HOH . 6 3 '14' . 17.765 50.471 44.724 1.00 36.70 4191 4226 O 'O' HOH . 6 3 '15' . -4.026 56.955 63.822 1.00 32.05 4192 4227 O 'O' HOH . 6 3 '16' . -4.600 85.158 39.438 1.00 39.90 4193 4228 O 'O' HOH . 6 3 '17' . -6.748 61.314 65.174 1.00 29.84 4194 4229 O 'O' HOH . 6 3 '18' . 0.331 77.130 61.847 1.00 37.45 4195 4230 O 'O' HOH . 6 3 '19' . 16.986 63.733 66.945 1.00 40.05 4196 4231 O 'O' HOH . 6 3 '20' . 2.863 53.991 63.429 1.00 28.73 4197 4232 O 'O' HOH . 6 3 '21' . -0.392 69.182 62.305 1.00 36.24 4198 4233 O 'O' HOH . 6 3 '22' . -10.596 65.487 68.640 1.00 38.33 4199 4234 O 'O' HOH . 6 3 '23' . 3.985 80.466 51.299 1.00 32.22 4200 4235 O 'O' HOH . 6 3 '24' . -8.856 60.808 63.702 1.00 35.77 4201 4236 O 'O' HOH . 6 3 '25' . 24.996 58.592 52.207 1.00 33.42 4202 4237 O 'O' HOH . 6 3 '26' . 18.256 59.940 41.625 1.00 31.93 4203 4238 O 'O' HOH . 6 3 '27' . 12.411 77.319 62.641 1.00 35.68 4204 4239 O 'O' HOH . 6 3 '28' . 11.761 67.246 67.266 1.00 30.01 4205 4240 O 'O' HOH . 6 3 '29' . -13.535 57.666 56.297 1.00 28.49 4206 4241 O 'O' HOH . 6 3 '30' . 13.874 74.306 65.923 1.00 38.27 4207 4242 O 'O' HOH . 6 3 '31' . -3.661 50.713 59.449 1.00 32.20 4208 4243 O 'O' HOH . 6 3 '32' . 10.505 55.461 68.426 1.00 26.81 4209 4244 O 'O' HOH . 6 3 '33' . 7.239 46.688 53.557 1.00 30.42 4210 4245 O 'O' HOH . 6 3 '34' . -9.023 58.241 64.528 1.00 34.15 4211 4246 O 'O' HOH . 6 3 '35' . 2.786 54.045 36.468 1.00 40.43 4212 4247 O 'O' HOH . 6 3 '36' . 4.053 43.443 55.549 1.00 35.61 4213 4248 O 'O' HOH . 6 3 '37' . -4.329 51.658 56.180 1.00 33.73 4214 4249 O 'O' HOH . 6 3 '38' . -7.350 67.664 57.608 1.00 33.02 4215 4250 O 'O' HOH . 6 3 '39' . 17.435 64.293 64.080 1.00 39.96 4216 4251 O 'O' HOH . 6 3 '40' . 10.017 79.951 64.901 1.00 41.06 4217 4252 O 'O' HOH . 6 3 '41' . 3.421 45.768 61.125 1.00 36.75 4218 4253 O 'O' HOH . 6 3 '42' . 7.868 75.485 60.631 1.00 30.29 4219 4254 O 'O' HOH . 6 3 '43' . 25.430 66.115 74.362 1.00 34.15 4220 4255 O 'O' HOH . 6 3 '44' . 7.284 70.482 39.111 1.00 38.06 4221 4256 O 'O' HOH . 6 3 '45' . 13.353 68.694 56.823 1.00 32.65 4222 4257 O 'O' HOH . 6 3 '46' . 27.587 63.209 45.662 1.00 38.40 4223 4258 O 'O' HOH . 6 3 '47' . 22.356 79.067 61.233 1.00 40.89 4224 4259 O 'O' HOH . 6 3 '48' . -15.431 66.225 51.694 1.00 36.39 4225 4260 O 'O' HOH . 6 3 '49' . 15.681 52.861 61.410 1.00 38.63 4226 4261 O 'O' HOH . 6 3 '50' . -18.026 65.184 61.106 1.00 44.57 4227 4262 O 'O' HOH . 6 3 '51' . -13.629 62.134 56.838 1.00 36.84 4228 4263 O 'O' HOH . 6 3 '52' . 14.544 76.236 63.746 1.00 43.94 4229 4264 O 'O' HOH . 6 3 '53' . 15.499 77.108 76.867 1.00 41.98 4230 4265 O 'O' HOH . 6 3 '54' . -0.993 66.171 39.685 1.00 39.68 4231 4266 O 'O' HOH . 6 3 '55' . 4.297 64.435 34.951 1.00 36.17 4232 4267 O 'O' HOH . 6 3 '56' . -8.118 71.156 52.632 1.00 43.63 4233 4268 O 'O' HOH . 6 3 '57' . 18.468 67.090 73.083 1.00 46.21 4234 4269 O 'O' HOH . 6 3 '58' . -5.860 44.924 57.306 1.00 36.78 4235 4270 O 'O' HOH . 6 3 '59' . 21.350 82.298 53.298 1.00 51.64 4236 4271 O 'O' HOH . 6 3 '60' . -15.399 67.304 49.298 1.00 28.06 4237 4272 O 'O' HOH . 6 3 '61' . -12.054 66.898 37.132 1.00 33.56 4238 4273 O 'O' HOH . 6 3 '62' . 22.991 66.794 47.558 1.00 37.21 4239 4274 O 'O' HOH . 6 3 '63' . 20.011 63.690 27.471 1.00 47.36 4240 4275 O 'O' HOH . 6 3 '64' . -9.707 69.789 54.584 1.00 39.38 4241 4276 O 'O' HOH . 6 3 '65' . -2.404 57.284 66.781 1.00 35.37 4242 4277 O 'O' HOH . 6 3 '66' . -12.384 62.981 59.142 1.00 34.01 4243 4278 O 'O' HOH . 6 3 '67' . -6.417 49.135 60.953 1.00 35.05 4244 4279 O 'O' HOH . 6 3 '68' . -3.210 77.136 31.063 1.00 49.33 4245 4280 O 'O' HOH . 6 3 '69' . -10.222 64.965 38.067 1.00 35.81 4246 4281 O 'O' HOH . 6 3 '70' . -18.140 68.339 48.889 1.00 36.62 4247 4282 O 'O' HOH . 6 3 '71' . -6.518 83.542 38.777 1.00 36.36 4248 4283 O 'O' HOH . 6 3 '72' . 24.981 61.357 52.493 1.00 30.71 4249 4284 O 'O' HOH . 6 3 '73' . 6.374 48.097 55.743 1.00 31.67 4250 4285 O 'O' HOH . 6 3 '74' . 4.327 55.386 78.061 1.00 31.61 4251 4286 O 'O' HOH . 6 3 '75' . -1.923 75.249 52.701 1.00 37.22 4252 4287 O 'O' HOH . 6 3 '76' . 8.402 76.655 75.972 1.00 37.12 4253 4288 O 'O' HOH . 6 3 '77' . -9.737 62.035 59.709 1.00 34.89 4254 4289 O 'O' HOH . 6 3 '78' . 1.238 42.936 54.640 1.00 41.75 4255 4290 O 'O' HOH . 6 3 '79' . -0.241 66.145 36.373 1.00 35.36 4256 4291 O 'O' HOH . 6 3 '80' . -7.550 70.246 56.261 1.00 34.76 4257 4292 O 'O' HOH . 6 3 '81' . 20.792 72.152 78.920 1.00 47.86 4258 4293 O 'O' HOH . 6 3 '82' . 9.533 55.944 35.913 1.00 35.75 4259 4294 O 'O' HOH . 6 3 '83' . 16.097 52.681 58.940 0.60 25.00 4260 4295 O 'O' HOH . 6 3 '84' . -10.092 51.750 54.677 1.00 38.74 4261 4296 O 'O' HOH . 6 3 '85' . 12.682 83.291 47.150 1.00 42.72 4262 4297 O 'O' HOH . 6 3 '86' . 3.486 51.259 64.191 1.00 36.33 4263 4298 O 'O' HOH . 6 3 '87' . 19.050 65.144 68.444 1.00 43.97 4264 4299 O 'O' HOH . 6 3 '88' . 20.706 59.339 40.643 1.00 42.91 4265 4300 O 'O' HOH . 6 3 '89' . -0.304 67.279 64.576 1.00 39.20 4266 4301 O 'O' HOH . 6 3 '90' . -3.300 75.986 64.181 1.00 39.91 4267 4302 O 'O' HOH . 6 3 '91' . 21.207 51.747 53.730 1.00 43.24 4268 4303 O 'O' HOH . 6 3 '92' . 3.421 50.224 69.201 1.00 40.73 4269 4304 O 'O' HOH . 6 3 '93' . 6.062 44.162 53.751 1.00 43.95 4270 4305 O 'O' HOH . 6 3 '94' . 6.225 62.426 34.909 1.00 37.10 4271 4306 O 'O' HOH . 6 3 '95' . 4.754 50.279 61.961 1.00 35.82 4272 4307 O 'O' HOH . 6 3 '96' . 21.902 61.656 41.648 1.00 35.35 4273 4308 O 'O' HOH . 6 3 '97' . 28.722 59.167 60.869 1.00 37.60 4274 4309 O 'O' HOH . 6 3 '98' . -4.783 80.125 62.427 1.00 48.29 4275 4310 O 'O' HOH . 6 3 '99' . 16.616 57.402 35.930 1.00 44.37 4276 4311 O 'O' HOH . 6 3 '100' . 7.004 65.470 81.717 1.00 42.74 4277 4312 O 'O' HOH . 6 3 '101' . 3.483 56.550 70.166 1.00 41.58 4278 4313 O 'O' HOH . 6 3 '102' . 9.605 46.433 53.348 0.50 15.56 4279 4314 O 'O' HOH . 6 3 '103' . 0.280 40.389 57.144 1.00 38.27 4280 4315 O 'O' HOH . 6 3 '104' . -20.562 75.122 37.492 1.00 51.38 4281 4316 O 'O' HOH . 6 3 '105' . 23.598 70.008 73.773 1.00 47.27 4282 4317 O 'O' HOH . 6 3 '106' . 15.708 62.227 84.438 1.00 43.10 4283 4318 O 'O' HOH . 6 3 '107' . 26.678 58.971 62.634 1.00 39.52 4284 4319 O 'O' HOH . 6 3 '108' . 7.327 63.535 78.757 1.00 36.34 4285 4320 O 'O' HOH . 6 3 '109' . -1.815 68.475 66.549 1.00 43.92 4286 4321 O 'O' HOH . 6 3 '110' . -15.583 60.171 48.883 1.00 36.56 4287 4322 O 'O' HOH . 6 3 '111' . 34.150 61.671 77.367 1.00 47.71 4288 4323 O 'O' HOH . 6 3 '112' . 18.905 85.104 49.972 1.00 48.71 4289 4324 O 'O' HOH . 6 3 '113' . 16.598 73.791 77.324 1.00 38.14 4290 4325 O 'O' HOH . 6 3 '114' . -2.549 77.762 62.201 1.00 40.75 4291 4326 O 'O' HOH . 6 3 '115' . 20.973 83.979 55.796 1.00 44.82 4292 4327 O 'O' HOH . 6 3 '116' . -8.865 65.027 70.655 1.00 45.06 4293 4328 O 'O' HOH . 6 3 '117' . 23.290 77.143 53.882 1.00 48.47 4294 4329 O 'O' HOH . 6 3 '118' . -10.539 81.242 55.468 1.00 49.20 4295 4330 O 'O' HOH . 6 3 '119' . -0.177 57.058 37.883 1.00 46.18 4296 4331 O 'O' HOH . 6 3 '120' . 9.095 88.209 47.886 1.00 47.81 4297 4332 O 'O' HOH . 6 3 '121' . 7.445 49.162 65.861 1.00 46.36 4298 4333 O 'O' HOH . 6 3 '122' . -1.032 50.677 42.274 1.00 44.77 4299 4334 O 'O' HOH . 6 3 '123' . 16.367 79.724 70.175 1.00 53.19 4300 4335 O 'O' HOH . 6 3 '124' . -6.947 48.412 73.906 1.00 46.53 4301 4336 O 'O' HOH . 6 3 '125' . -20.229 59.229 59.190 1.00 39.96 4302 4337 O 'O' HOH . 6 3 '126' . 4.496 49.673 66.807 1.00 41.44 4303 4338 O 'O' HOH . 6 3 '127' . 27.115 63.311 59.206 1.00 43.31 4304 4339 O 'O' HOH . 6 3 '128' . 2.191 53.258 73.238 1.00 38.71 4305 4340 O 'O' HOH . 6 3 '129' . 4.874 47.510 62.803 1.00 40.33 4306 4341 O 'O' HOH . 6 3 '130' . -12.558 64.421 41.653 1.00 41.57 4307 4342 O 'O' HOH . 6 3 '131' . 12.610 59.522 56.884 1.00 38.28 4308 4343 O 'O' HOH . 6 3 '132' . -1.266 74.749 31.116 1.00 44.37 4309 4344 O 'O' HOH . 6 3 '133' . 13.110 58.907 79.039 1.00 46.71 4310 4345 O 'O' HOH . 6 3 '134' . 24.980 57.980 54.962 1.00 41.27 4311 4346 O 'O' HOH . 6 3 '135' . 22.559 54.010 82.577 1.00 63.82 4312 4347 O 'O' HOH . 6 3 '136' . 4.776 46.412 40.206 1.00 48.43 4313 4348 O 'O' HOH . 6 3 '137' . 11.068 70.357 33.892 1.00 43.40 4314 4349 O 'O' HOH . 6 3 '138' . 3.363 47.268 65.091 1.00 39.69 4315 4350 O 'O' HOH . 6 3 '139' . -20.171 56.660 59.531 1.00 40.16 4316 4351 O 'O' HOH . 6 3 '140' . -2.971 66.965 74.327 1.00 54.15 4317 4352 O 'O' HOH . 6 3 '141' . 0.084 70.266 68.253 1.00 46.39 4318 4353 O 'O' HOH . 6 3 '142' . 5.308 53.362 80.414 1.00 44.73 4319 4354 O 'O' HOH . 6 3 '143' . 19.137 58.496 34.948 1.00 51.83 4320 4355 O 'O' HOH . 6 3 '144' . 16.355 88.496 52.079 1.00 45.28 4321 4356 O 'O' HOH . 6 3 '145' . 13.198 86.175 46.917 1.00 47.99 4322 4357 O 'O' HOH . 6 3 '146' . 17.490 89.780 54.355 1.00 47.80 4323 4358 O 'O' HOH . 6 3 '147' . 1.651 63.827 35.218 1.00 44.09 4324 4359 O 'O' HOH . 6 3 '148' . 8.447 79.104 67.460 1.00 43.64 4325 4360 O 'O' HOH . 6 3 '149' . -0.343 58.273 32.664 1.00 40.88 4326 4361 O 'O' HOH . 6 3 '150' . -21.865 45.998 66.762 1.00 49.13 4327 4362 O 'O' HOH . 6 3 '151' . -14.343 65.187 67.042 1.00 39.73 4328 4363 O 'O' HOH . 6 3 '152' . 19.801 62.648 65.042 1.00 44.96 4329 4364 O 'O' HOH . 6 3 '153' . 18.058 79.589 46.020 1.00 50.67 4330 4365 O 'O' HOH . 6 3 '154' . -10.960 82.233 33.435 1.00 44.07 4331 4366 O 'O' HOH . 6 3 '155' . 24.961 70.262 63.037 1.00 47.31 4332 4367 O 'O' HOH . 6 3 '156' . 19.515 84.444 62.511 1.00 42.15 4333 4368 O 'O' HOH . 6 3 '157' . 5.294 65.414 32.764 1.00 48.42 4334 4369 O 'O' HOH . 6 3 '158' . 8.159 54.472 80.502 1.00 47.70 4335 4370 O 'O' HOH . 6 3 '159' . -15.537 72.318 53.979 1.00 44.56 4336 4371 O 'O' HOH . 6 3 '160' . -3.776 49.827 61.724 1.00 42.85 4337 4372 O 'O' HOH . 6 3 '161' . -7.020 50.295 49.394 1.00 45.09 4338 4373 O 'O' HOH . 6 3 '162' . -6.623 66.139 31.868 1.00 46.69 4339 4374 O 'O' HOH . 6 3 '163' . 27.307 74.689 57.725 1.00 48.92 4340 4375 O 'O' HOH . 6 3 '164' . 5.847 74.708 32.831 1.00 53.01 4341 4376 O 'O' HOH . 6 3 '165' . 1.751 94.576 43.014 1.00 50.88 4342 4377 O 'O' HOH . 6 3 '166' . 6.909 78.730 64.173 1.00 43.49 4343 4378 O 'O' HOH . 6 3 '167' . -0.014 41.322 64.047 1.00 43.29 4344 4379 O 'O' HOH . 6 3 '168' . 14.035 50.937 55.924 1.00 37.40 4345 4380 O 'O' HOH . 6 3 '169' . 14.710 64.806 83.886 1.00 50.39 4346 4381 O 'O' HOH . 6 3 '170' . 1.879 63.665 76.411 1.00 46.52 4347 4382 O 'O' HOH . 6 3 '171' . 3.189 80.897 32.237 1.00 50.00 4348 4383 O 'O' HOH . 6 3 '172' . 4.024 86.884 41.684 1.00 52.71 4349 4384 O 'O' HOH . 6 3 '173' . 4.199 77.813 78.370 1.00 50.56 4350 4385 O 'O' HOH . 6 3 '174' . 1.539 65.215 65.172 1.00 57.26 4351 4386 O 'O' HOH . 6 3 '175' . -1.364 65.989 68.130 1.00 57.45 4352 4387 O 'O' HOH . 6 3 '176' . 7.470 41.129 49.263 1.00 49.33 4353 4388 O 'O' HOH . 6 3 '177' . -14.112 71.235 65.465 1.00 49.47 4354 4389 O 'O' HOH . 6 3 '178' . 11.279 64.531 35.423 1.00 53.52 4355 4390 C 'C1' NAG . 3 0 '59' . -18.594 83.402 50.084 1.00 67.99 4356 4391 C 'C2' NAG . 3 0 '59' . -19.570 84.560 49.800 1.00 71.26 4357 4392 N 'N2' NAG . 3 0 '59' . -19.642 84.880 48.387 1.00 71.14 4358 4393 C 'C7' NAG . 3 0 '59' . -20.760 84.613 47.711 1.00 72.31 4359 4394 O 'O7' NAG . 3 0 '59' . -21.589 83.749 48.067 1.00 71.63 4360 4395 C 'C8' NAG . 3 0 '59' . -20.997 85.422 46.444 1.00 71.32 4361 4396 C 'C3' NAG . 3 0 '59' . -19.190 85.804 50.623 1.00 73.73 4362 4397 O 'O3' NAG . 3 0 '59' . -20.160 86.837 50.405 1.00 74.80 4363 4398 C 'C4' NAG . 3 0 '59' . -19.151 85.449 52.123 1.00 74.57 4364 4399 O 'O4' NAG . 3 0 '59' . -18.656 86.569 52.872 1.00 76.82 4365 4400 C 'C5' NAG . 3 0 '59' . -18.283 84.185 52.395 1.00 72.86 4366 4401 O 'O5' NAG . 3 0 '59' . -18.673 83.076 51.509 1.00 71.46 4367 4402 C 'C6' NAG . 3 0 '59' . -18.416 83.712 53.858 1.00 72.15 4368 4403 O 'O6' NAG . 3 0 '59' . -19.007 82.417 53.988 1.00 71.42 4369 4404 C 'C1' NAG 1 4 2 '4161' . 18.624 61.876 33.544 1.00 53.74 4370 4405 C 'C2' NAG 1 4 2 '4161' . 20.143 61.771 33.648 1.00 55.18 4371 4406 N 'N2' NAG 1 4 2 '4161' . 20.634 62.431 34.844 1.00 54.80 4372 4407 C 'C7' NAG 1 4 2 '4161' . 20.952 61.739 35.942 1.00 55.07 4373 4408 O 'O7' NAG 1 4 2 '4161' . 20.860 60.502 36.024 1.00 55.69 4374 4409 C 'C8' NAG 1 4 2 '4161' . 21.423 62.545 37.142 1.00 54.21 4375 4410 C 'C3' NAG 1 4 2 '4161' . 20.816 62.383 32.407 1.00 57.07 4376 4411 O 'O3' NAG 1 4 2 '4161' . 22.223 62.156 32.505 1.00 55.06 4377 4412 C 'C4' NAG 1 4 2 '4161' . 20.234 61.731 31.114 1.00 58.15 4378 4413 O 'O4' NAG 1 4 2 '4161' . 20.769 62.333 29.933 1.00 59.67 4379 4414 C 'C5' NAG 1 4 2 '4161' . 18.705 61.843 31.107 1.00 58.74 4380 4415 O 'O5' NAG 1 4 2 '4161' . 18.157 61.256 32.323 1.00 56.57 4381 4416 C 'C6' NAG 1 4 2 '4161' . 18.096 61.101 29.896 1.00 59.07 4382 4417 O 'O6' NAG 1 4 2 '4161' . 17.215 60.033 30.260 1.00 61.29 4383 4418 CX1 'C1' ARE . 5 2 '1' . -3.101 59.642 74.646 0.90 50.77 4384 4419 CX2 'C2' ARE . 5 2 '1' . -2.030 60.648 74.269 0.90 51.65 4385 4420 CX3 'C3' ARE . 5 2 '1' . -1.072 60.080 73.165 0.90 51.33 4386 4421 CX4 'C4' ARE . 5 2 '1' . -0.564 58.672 73.543 0.90 50.89 4387 4422 CX5 'C5' ARE . 5 2 '1' . -1.226 57.929 74.508 0.90 50.74 4388 4423 CX6 'C6' ARE . 5 2 '1' . -2.444 58.409 75.279 0.90 49.47 4389 4424 CX7 'C7' ARE . 5 2 '1' . 0.626 58.022 72.883 0.90 49.72 4390 4425 CX8 'C8' ARE . 5 2 '1' . 1.054 56.748 73.220 0.90 49.71 4391 4426 CX9 'C9' ARE . 5 2 '1' . 0.285 56.003 74.296 0.90 51.33 4392 4427 NX10 'N10' ARE . 5 2 '1' . -0.779 56.673 74.827 0.90 52.03 4393 4428 OX11 'O11' ARE . 5 2 '1' . 0.539 54.906 74.692 0.90 52.89 4394 4429 NX12 'N12' ARE . 5 2 '1' . 0.040 61.070 73.243 0.90 52.73 4395 4430 CX13 'C13' ARE . 5 2 '1' . -0.068 62.286 72.383 0.90 54.53 4396 4431 CX14 'C14' ARE . 5 2 '1' . 0.987 62.015 71.346 0.90 51.97 4397 4432 CX15 'C15' ARE . 5 2 '1' . 0.638 62.654 70.035 0.90 51.88 4398 4433 CX16 'C16' ARE . 5 2 '1' . 1.699 62.309 68.991 0.90 53.19 4399 4434 CX17 'C17' ARE . 5 2 '1' . 3.121 62.474 69.548 0.90 51.51 4400 4435 CX18 'C18' ARE . 5 2 '1' . 3.679 63.774 69.010 0.90 53.79 4401 4436 CX19 'C19' ARE . 5 2 '1' . 3.280 65.028 69.812 0.90 53.46 4402 4437 CX20 'C20' ARE . 5 2 '1' . 2.241 65.863 69.045 0.90 53.21 4403 4438 CX21 'C21' ARE . 5 2 '1' . 2.718 66.377 67.686 0.90 51.58 4404 4439 CX22 'C22' ARE . 5 2 '1' . 1.726 67.435 67.200 0.90 48.82 4405 4440 NX23 'N23' ARE . 5 2 '1' . 2.213 68.411 66.222 0.90 44.04 4406 4441 CX24 'C24' ARE . 5 2 '1' . 3.521 68.662 65.732 0.90 41.82 4407 4442 CX25 'C25' ARE . 5 2 '1' . 4.528 69.268 66.626 0.90 41.31 4408 4443 CX26 'C26' ARE . 5 2 '1' . 5.797 69.577 66.022 0.90 40.51 4409 4444 NX27 'N27' ARE . 5 2 '1' . 6.070 69.305 64.651 0.90 41.09 4410 4445 CX28 'C28' ARE . 5 2 '1' . 5.155 68.742 63.863 0.90 39.95 4411 4446 CX29 'C29' ARE . 5 2 '1' . 3.830 68.386 64.351 0.90 39.27 4412 4447 CX30 'C30' ARE . 5 2 '1' . 4.425 69.610 68.048 0.90 40.90 4413 4448 CX31 'C31' ARE . 5 2 '1' . 5.466 70.197 68.772 0.90 39.35 4414 4449 CX32 'C32' ARE . 5 2 '1' . 6.711 70.499 68.132 0.90 38.97 4415 4450 CX33 'C33' ARE . 5 2 '1' . 6.866 70.192 66.780 0.90 39.46 4416 4451 CX34 'C34' ARE . 5 2 '1' . 5.623 68.517 62.401 0.90 39.61 4417 4452 CX35 'C35' ARE . 5 2 '1' . 4.417 68.291 61.435 0.90 41.37 4418 4453 CX36 'C36' ARE . 5 2 '1' . 3.463 67.246 62.008 0.90 39.54 4419 4454 CX37 'C37' ARE . 5 2 '1' . 2.836 67.754 63.356 0.90 39.45 # # mmCIF Generated by CNS module exportmmcifrefine (V 1.1) # _reflns.entry_id a10e _reflns.d_resolution_high 2.30 _reflns.d_resolution_low 29.19 _reflns.limit_h_max 41 _reflns.limit_h_min 0 _reflns.limit_k_max 41 _reflns.limit_k_min 0 _reflns.limit_l_max 59 _reflns.limit_l_min 0 _reflns.number_all 43555 _reflns.observed_criterion_sigma_F 0.0 _reflns.observed_criterion_F_max 1962219.64 _reflns.observed_criterion_F_min 11.300000 _reflns.B_iso_Wilson_estimate 31.2 # # _refine.entry_id a10e _refine.ls_number_reflns_all 44206 _refine.ls_number_reflns_obs 43555 _refine.ls_percent_reflns_obs 98.5 _refine.ls_d_res_high 2.30 _refine.ls_d_res_low 29.19 _refine.B_iso_min 15.56 _refine.B_iso_max 76.82 _refine.B_iso_mean 39.26 _refine.occupancy_min 0.50 _refine.occupancy_max 1.00 _refine.aniso_B[1][1] 7.66 _refine.aniso_B[2][2] 7.66 _refine.aniso_B[3][3] -15.32 _refine.aniso_B[1][2] 5.56 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_param_bsol 36.3498 _refine.solvent_model_param_ksol 0.35266 _refine.solvent_model_details 'CNS bulk solvent model used' _refine.ls_R_factor_R_work 0.188 _refine.ls_R_factor_R_free 0.230 _refine.ls_R_factor_R_free_error 0.005 _refine.ls_number_reflns_R_free 2190 _refine.ls_percent_reflns_R_free 5.0 _refine.details ; Cross-validation method: -> "throughout" Free R value test set selection criteria: -> "random" Number of non-hydrogen atoms used in refinement. Polymer 4239 Nonpolymer 37 Solvent 178 CNS Parameter files: CNS_TOPPAR/protein_rep.param CNS_TOPPAR/carbohydrate.param are.par CNS_TOPPAR/water_rep.param cis_peptide.param CNS Topology files: CNS_TOPPAR/protein.top CNS_TOPPAR/carbohydrate.top are.top CNS_TOPPAR/water.top ; # # loop_ _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_work _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.number_reflns_R_free _refine_ls_shell.percent_reflns_R_free 2.30 2.41 5450 5399 5161 99.1 0.224 0.268 0.017 238 4.4 2.41 2.53 5486 5458 5221 99.5 0.203 0.253 0.016 237 4.3 2.53 2.69 5465 5430 5125 99.3 0.201 0.278 0.016 305 5.6 2.69 2.90 5496 5472 5153 99.5 0.198 0.239 0.013 319 5.8 2.90 3.19 5506 5450 5184 99.0 0.212 0.274 0.017 266 4.9 3.19 3.65 5528 5437 5175 98.4 0.199 0.232 0.014 262 4.8 3.65 4.60 5562 5431 5162 97.6 0.163 0.191 0.012 269 5.0 4.60 29.19 5766 5478 5184 95.0 0.177 0.218 0.013 294 5.4 # # _refine_analyze.entry_id a10e _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_d_res_high_obs 2.30 _refine_analyze.Luzzati_coordinate_error_obs 0.24 _refine_analyze.Luzzati_sigma_a_obs 0.18 _refine_analyze.Luzzati_coordinate_error_free 0.30 _refine_analyze.Luzzati_sigma_a_free 0.22 # # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target 'x_bond_d' 0.116 . 'x_angle_deg' 1.9 . 'x_torsion_deg' 24.1 . 'x_torsion_impr_deg' 1.38 . 'x_mcbond_it' 1.31 1.50 'x_mcangle_it' 2.02 2.00 'x_scbond_it' 5.28 2.00 'x_scangle_it' 5.97 2.50 # # loop_ _refine_B_iso.class _refine_B_iso.treatment 'polymer' isotropic 'water' isotropic 'nonpolymer' isotropic #===END