data_6e5n_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6e5n _Structure_validation_residue.Date_analyzed 2019-11-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.5 mtm . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.731 0.301 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 46.9 p -68.72 160.09 78.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -51.66 -42.68 55.28 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.256 1.971 . . . . 0.0 111.851 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.3 -40.75 86.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.627 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -63.36 -42.99 98.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.73 -40.17 96.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.036 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -61.74 -42.48 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.628 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 30.1 mtt -61.76 -42.12 98.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.0 t -62.98 -42.67 99.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 24.0 mt . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.636 0.255 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 91.3 p -63.03 -17.82 62.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.908 0.385 . . . . 0.0 110.252 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -91.22 -7.6 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -86.93 133.31 33.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.012 0.434 . . . . 0.0 110.534 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.8 160.37 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.824 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.2 -47.13 82.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.969 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.58 94.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.661 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.93 -39.84 94.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.541 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -60.06 -47.31 86.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.969 0.414 . . . . 0.0 110.18 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 60.3 t0 -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.281 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.0 m -60.66 -44.97 95.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.01 -46.74 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.96 -38.21 87.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 67.8 p -90.69 -1.88 57.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 45.1 t -66.3 127.12 30.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.595 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -113.03 3.15 16.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.883 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -119.18 136.8 54.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.633 0.254 . . . . 0.0 110.471 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 17.1 tt -64.37 -36.26 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.246 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.05 -43.8 98.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.4 -39.37 92.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.304 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.61 -43.23 97.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.826 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.73 88.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.57 98.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.806 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.9 m -66.1 -40.23 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.166 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.6 -41.21 97.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.314 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.09 -42.1 97.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.593 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.81 -40.75 97.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.38 -44.16 95.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.737 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -62.2 -46.96 86.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -63.58 -42.55 98.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.88 -42.4 97.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.92 -40.2 95.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.769 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.0 tptt -61.23 -45.63 93.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.7 t -62.96 -40.97 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.034 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.13 -47.3 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.35 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -61.31 -42.66 99.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.849 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 75.8 t90 -60.71 -45.55 93.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.022 0.439 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -61.31 -36.93 81.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.314 -0.978 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.066 179.569 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 121.013 0.435 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.59 -39.97 93.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.121 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.21 -39.75 93.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.04 -44.05 97.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.85 -44.33 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.83 -41.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.754 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -102.0 26.11 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -148.78 -61.36 0.24 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.014 0.435 . . . . 0.0 110.421 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.69 -3.36 80.78 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.4 22.1 76.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.32 159.13 86.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.898 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.87 -23.66 21.97 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.364 2.043 . . . . 0.0 112.25 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.883 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.818 -179.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.932 0.396 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.1 p -71.42 161.97 75.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.653 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.17 -43.35 53.85 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 121.973 1.782 . . . . 0.0 111.702 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.19 -40.92 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.515 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -64.34 -41.01 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.35 -40.77 98.21 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.61 99.33 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.633 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.66 -41.95 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.72 -39.89 94.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.65 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 34.3 mtt -63.01 -41.81 99.65 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.607 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.51 -42.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.419 -179.38 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.583 0.23 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -68.81 -10.75 58.53 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.261 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -98.34 -9.94 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.03 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -82.15 136.25 35.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.021 0.438 . . . . 0.0 110.914 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.66 160.06 14.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.952 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.8 t80 -57.15 -47.02 82.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.645 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.61 91.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.412 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.88 -43.3 96.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.01 -39.54 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.2 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.15 -48.18 82.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.812 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.75 -39.71 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.07 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.2 m -60.34 -44.02 95.89 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.669 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.72 -47.31 93.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 0.0 111.036 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -62.28 -38.83 90.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 9.7 t -90.66 -0.79 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 80.4 p -62.86 152.41 36.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.234 0.54 . . . . 0.0 110.796 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 19.5 p -129.72 -4.69 4.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.05 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -126.21 140.99 52.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.124 0.488 . . . . 0.0 111.272 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 48.1 pt -68.52 -25.44 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.02 -46.31 88.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.5 -41.38 88.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.976 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.13 -42.12 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.663 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.33 88.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.295 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.109 0.481 . . . . 0.0 110.945 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 84.7 m -67.65 -40.6 84.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.45 -44.02 97.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.085 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.64 -39.97 92.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.347 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.56 -40.4 96.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.096 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.99 -40.68 98.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 61.4 m170 -63.23 -42.67 99.27 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.705 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.8 -43.43 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.552 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -63.3 -41.96 99.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.91 -41.44 95.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.317 . . . . 0.0 110.73 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -62.84 -42.99 99.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.4 t -63.9 -42.48 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.932 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.29 -48.11 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.41 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -60.64 -46.4 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.06 96.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 76.0 t90 -59.89 -46.01 90.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 120.727 0.299 . . . . 0.0 110.4 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -61.98 -37.38 84.6 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.102 0.477 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.44 95.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.489 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.05 -43.35 99.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.43 97.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.08 -43.02 99.75 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.513 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.17 -42.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.649 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.9 mt -98.13 19.15 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.987 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -144.4 -62.21 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.754 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.99 -6.99 88.46 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.67 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.85 79.39 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.05 159.45 83.99 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.674 0.273 . . . . 0.0 111.072 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.43 -20.72 23.6 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.311 2.007 . . . . 0.0 112.291 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.98 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 16.4 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.0 p -71.11 162.33 73.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.16 -41.37 65.63 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.285 1.99 . . . . 0.0 111.639 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.33 -40.7 85.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.03 -41.51 99.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.429 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.25 99.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.79 -41.08 97.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -62.8 -41.81 99.44 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.6 m -63.7 -40.82 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.62 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.627 0.251 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -61.11 -17.96 55.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.632 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.27 -12.64 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -72.56 134.88 45.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.62 160.42 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.841 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.82 -46.51 81.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.724 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.76 93.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -63.21 -43.43 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.663 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.88 -38.35 90.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.367 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.16 -47.72 82.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.203 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.4 t0 -64.82 -39.39 93.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.878 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.9 m -60.21 -42.45 95.16 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.71 -47.31 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -62.47 -37.49 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 70.6 p -89.92 -1.78 58.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.963 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.1 t -66.39 128.64 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 120.992 0.425 . . . . 0.0 110.377 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 79.2 m -123.71 22.0 9.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.64 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -148.39 151.97 36.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.635 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.18 -27.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.983 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.31 -46.24 87.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.534 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.17 -40.24 86.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.5 -40.45 94.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.759 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.79 70.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.59 74.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.478 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 12.7 p -71.42 -41.13 69.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.72 -42.24 98.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.342 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.92 -43.29 96.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.168 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.03 -41.59 98.26 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -60.39 -44.23 95.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.521 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.12 -46.98 88.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.73 -41.51 95.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.53 -42.04 98.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -40.57 98.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 18.7 tptm -61.74 -44.69 96.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.89 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.201 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.21 -47.56 84.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 53.1 m170 -62.57 -41.65 99.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.401 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.32 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.51 -46.0 91.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.808 0.337 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.68 -39.11 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.214 179.739 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.64 -39.92 93.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.01 -40.7 98.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 0.0 110.539 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.57 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.49 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.02 91.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.322 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.3 -41.11 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.67 26.45 7.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -150.94 -62.97 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.209 0.528 . . . . 0.0 110.854 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.9 -4.93 88.34 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.54 21.8 76.32 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.97 156.69 86.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.128 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -75.46 -20.85 15.6 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.461 2.107 . . . . 0.0 112.273 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.9 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 23.5 mtm . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.8 p -70.57 161.08 79.13 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.98 -42.32 59.07 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.294 1.996 . . . . 0.0 111.928 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -40.52 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.381 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.72 -41.06 98.14 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.4 mtm -63.27 -40.85 98.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.258 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.84 99.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.67 -41.2 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.49 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.97 -42.88 99.62 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.355 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 74.6 m -63.78 -41.3 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.258 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 71.3 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.507 0.194 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.9 p -68.0 -12.37 60.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.3 . . . . 0.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -98.06 -8.79 27.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -81.04 137.5 36.03 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.145 0.498 . . . . 0.0 110.706 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.67 161.91 14.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.751 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.99 -46.87 81.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.66 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.66 93.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.84 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.61 -39.32 93.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -59.56 -48.1 82.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.847 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.64 -39.03 93.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.958 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 97.8 m -59.9 -44.06 94.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.307 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.2 -48.26 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.57 -38.15 88.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 79.8 p -89.6 -1.2 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 62.7 p -57.3 129.99 44.25 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 110.594 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 -2.88 12.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.475 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -131.36 142.88 50.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.8 pt -67.44 -26.77 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.96 -44.97 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 50.8 tp -65.6 -41.48 92.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.861 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.906 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.39 89.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.65 93.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.2 m -66.96 -40.59 87.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.499 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.54 -43.58 98.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.15 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.29 -40.19 89.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.46 -41.17 98.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.123 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -63.82 -42.97 97.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.495 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.22 -43.98 96.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.81 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -66.31 -42.09 88.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -64.25 -42.39 96.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.68 -40.01 95.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.476 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.82 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.5 t -61.86 -41.85 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.87 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.32 -46.85 87.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.68 -47.08 87.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.42 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 77.7 t90 -60.65 -46.44 90.29 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.856 0.36 . . . . 0.0 110.361 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -62.79 -38.6 91.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.95 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.993 -179.358 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -61.45 -39.84 92.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.47 -40.68 97.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.5 -42.57 99.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.15 96.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.19 -43.33 99.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.516 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.02 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 0.0 110.275 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.46 -41.89 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -100.98 23.61 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.682 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -144.77 -61.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.0 -2.89 74.06 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.35 22.09 76.18 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 159.2 84.16 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.425 0.155 . . . . 0.0 111.215 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.65 -38.7 59.49 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.196 1.931 . . . . 0.0 112.32 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.946 -1.475 . . . . 0.0 110.892 -179.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.9 mtm . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.2 p -70.34 160.9 79.43 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.23 -42.67 46.38 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.179 1.92 . . . . 0.0 111.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.31 -40.7 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -62.44 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.26 -40.33 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.984 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.47 -42.11 98.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.704 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.49 -40.73 97.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 34.9 mtt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -61.37 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.456 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.042 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 73.9 mt . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.669 0.271 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 90.8 p -61.82 -17.03 54.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.94 0.4 . . . . 0.0 110.339 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -89.22 -10.65 46.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.8 m95 -85.74 130.81 34.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.69 159.81 15.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.824 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.55 -47.89 80.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.87 95.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.699 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.85 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.93 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.77 -39.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.149 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.27 -47.77 84.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.873 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.0 -39.83 95.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.5 m -61.78 -43.85 98.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.3 mt -61.46 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -61.34 -39.29 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.3 t -90.37 -2.95 58.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 45.8 t -65.37 134.09 52.78 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.025 0.441 . . . . 0.0 110.562 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.9 m -115.36 -5.45 12.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.389 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -114.9 143.88 44.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.856 0.36 . . . . 0.0 110.669 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.8 pt -69.59 -27.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.04 -45.05 90.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.107 0.48 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.52 -40.57 89.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.142 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.62 -44.58 96.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.546 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.66 81.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.54 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.56 98.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 84.0 m -67.22 -40.0 86.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.0 -41.08 95.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.56 -42.52 96.77 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.528 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -65.77 -38.55 89.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.418 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -61.37 -46.55 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.34 -42.36 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.49 -41.49 96.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.498 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.3 -40.11 95.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.418 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.49 -44.75 96.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.5 t -62.9 -41.94 94.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.1 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.93 -46.91 86.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.35 -46.86 87.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.36 98.67 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.015 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.97 -46.15 91.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.512 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -62.73 -36.57 83.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.325 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.311 -1.081 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.081 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.021 0.439 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -62.33 -38.35 89.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.206 0.527 . . . . 0.0 109.643 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.61 -40.81 97.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -42.49 99.58 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.463 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.53 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.605 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.05 -42.85 99.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.692 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.03 93.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.108 0.48 . . . . 0.0 110.425 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.15 -41.73 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.2 23.29 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.714 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -147.44 -62.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.148 0.499 . . . . 0.0 110.873 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.38 -5.93 86.56 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.17 19.31 77.24 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.08 159.47 85.11 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.047 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -21.6 25.9 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.279 1.986 . . . . 0.0 112.194 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 117.895 -1.503 . . . . 0.0 110.95 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp . . . . . 0 C--O 1.224 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.5 p -73.2 161.61 78.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.213 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.09 -42.7 51.99 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.09 1.86 . . . . 0.0 111.858 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.46 -41.14 85.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.87 -42.39 99.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.1 -42.18 99.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.36 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.236 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -41.89 98.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.56 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 72.5 mtm -65.3 -39.29 92.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.3 m -62.05 -40.72 96.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.322 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.654 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.556 0.217 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.3 p -69.84 -10.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.327 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -98.42 -1.94 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -90.51 134.74 34.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.749 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 161.62 11.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -56.62 -47.45 79.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.93 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.95 95.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.486 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.971 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.05 -39.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.757 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -48.92 79.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.066 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.32 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.26 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.0 m -60.55 -44.62 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.463 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 111.002 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -61.51 -38.71 88.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.38 -2.24 57.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 41.4 t -65.11 137.1 57.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.97 0.414 . . . . 0.0 110.619 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.2 p -118.1 -3.77 11.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.521 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.69 138.65 51.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.62 -27.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.94 -45.39 89.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.189 0.518 . . . . 0.0 110.518 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.79 -40.42 91.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.03 -41.78 97.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.676 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.59 87.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.342 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.47 98.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.2 m -67.14 -40.32 86.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.66 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -61.52 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.16 -40.73 94.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.22 -39.91 95.97 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.245 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.951 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -60.91 -48.89 79.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.94 -44.32 96.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.79 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.12 -40.45 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.43 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -61.41 -46.7 89.02 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.339 . . . . 0.0 110.438 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 59.8 t -62.27 -40.52 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -58.74 -48.2 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.19 -45.94 92.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.11 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.82 90.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 71.2 t90 -60.95 -45.9 92.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.463 0.649 . . . . 0.0 110.217 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.05 -35.49 77.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.26 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--N 1.316 -0.873 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.577 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.081 0.467 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.54 -39.79 92.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.66 -40.75 98.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.4 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.26 97.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.26 -44.57 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.19 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.71 -40.43 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -103.59 26.87 7.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.511 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.92 -62.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.045 0.45 . . . . 0.0 110.456 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.5 -6.1 87.83 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.329 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.44 20.65 78.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.95 159.83 82.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.331 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.68 -25.09 24.74 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.352 2.034 . . . . 0.0 112.094 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.797 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 19.3 mtm . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.75 0.31 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 32.2 p -69.97 162.63 67.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.406 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.75 -41.9 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.195 1.93 . . . . 0.0 111.709 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.65 -40.49 92.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.206 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -63.81 -41.3 97.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.9 -41.21 99.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.81 97.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -62.54 -41.36 98.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.905 0.383 . . . . 0.0 110.462 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 27.5 mtt -63.55 -40.74 97.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 73.5 m -63.35 -40.42 97.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.668 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.861 -179.724 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 93.7 p -69.6 -11.02 60.5 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.447 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -94.0 -11.07 31.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -81.02 138.39 36.03 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.0 158.07 23.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.61 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -55.69 -46.53 77.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.807 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.26 94.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.22 -43.57 97.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.854 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.1 -39.85 94.95 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.466 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -59.84 -47.93 83.73 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.255 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.19 -39.11 92.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -44.41 97.45 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.41 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.0 -46.99 95.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.79 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -62.28 -38.08 87.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.4 p -90.14 -2.33 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 38.9 t -71.76 128.92 37.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.089 0.471 . . . . 0.0 110.37 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 13.7 p -109.51 -4.66 16.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.606 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.45 138.6 48.97 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.95 0.405 . . . . 0.0 110.655 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.3 pt -69.43 -27.73 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.08 -45.62 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.51 -40.2 92.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.72 -42.49 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.798 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.92 88.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.448 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.69 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.87 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.7 m -66.32 -40.59 90.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.599 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.61 -42.33 98.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.98 -40.95 95.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.41 -40.96 92.85 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.131 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -62.89 -43.21 99.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -62.5 -44.79 95.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.836 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -64.69 -41.87 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -64.39 -41.98 96.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.78 -41.0 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.56 -45.81 92.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 78.8 t -63.66 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.59 -47.72 83.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.047 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.5 -46.19 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.442 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.45 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.475 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.77 -45.02 95.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.243 0.544 . . . . 0.0 110.874 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.44 -39.48 83.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.596 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.995 0.426 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.43 -42.15 98.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.571 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.61 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.343 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.32 -44.08 97.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.35 93.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.395 . . . . 0.0 110.326 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.94 -41.48 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -101.65 28.13 5.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -150.71 -61.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.153 0.501 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.71 -2.54 75.55 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.44 21.13 75.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.81 160.28 83.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.905 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.57 -25.24 21.21 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.529 2.153 . . . . 0.0 112.432 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.842 -179.758 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.9 mtm . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.937 0.398 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.9 p -71.59 162.13 74.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.991 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.47 -43.16 56.66 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.187 1.925 . . . . 0.0 111.832 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.81 -41.19 87.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -63.55 -42.48 98.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.306 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.99 -40.48 96.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.19 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.956 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.31 -41.89 98.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.516 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.07 -39.58 94.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -61.32 -42.73 99.15 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.549 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.722 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 71.2 mt . . . . . 0 CA--C 1.524 -0.05 0 CA-C-O 120.722 0.296 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.2 p -61.3 -18.1 56.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -86.19 -13.52 46.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.5 m95 -81.45 133.46 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.71 159.44 13.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.76 -48.27 80.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.824 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.69 94.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.26 -43.07 99.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.25 -39.66 94.4 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -59.6 -47.19 86.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.831 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.49 -40.23 95.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.214 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.9 m -60.3 -44.13 95.67 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.23 -46.6 94.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.4 -36.81 83.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.5 p -89.64 -1.95 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.658 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 66.2 m -61.15 130.18 45.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.916 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.5 m -113.58 -2.85 13.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.605 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -127.55 151.4 48.93 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.6 pt -69.56 -28.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.17 -44.94 90.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.091 0.472 . . . . 0.0 110.48 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.11 -40.53 90.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.012 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.25 -42.63 98.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.66 -31.45 71.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.377 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.87 88.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.978 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.4 m -69.6 -40.18 76.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.539 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.975 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.37 -43.21 95.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.88 -41.3 97.78 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.34 -43.46 98.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.14 -47.58 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -63.8 -41.7 97.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -63.1 -41.55 99.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.763 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.33 -39.81 94.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.263 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 16.8 tptm -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 75.5 t80 -58.29 -48.3 80.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.356 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.79 -45.15 95.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.194 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.31 -46.1 91.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.296 0.569 . . . . 0.0 110.414 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.82 -36.39 78.93 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.021 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.865 179.587 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.23 -39.51 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.53 -42.93 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.99 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.35 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.39 -44.67 96.74 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.739 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.63 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.942 0.401 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.1 -41.28 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.946 0.403 . . . . 0.0 110.624 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.57 26.07 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.644 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -150.31 -62.08 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.017 0.437 . . . . 0.0 110.351 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -4.55 86.41 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.3 21.45 77.3 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.24 159.35 83.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 111.009 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 -21.46 20.78 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 118.049 -1.417 . . . . 0.0 110.604 -179.813 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp . . . . . 0 C--O 1.223 -0.299 0 CA-C-O 120.541 0.21 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 81.9 p -71.28 157.64 89.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.042 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.4 -42.21 49.01 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.196 1.931 . . . . 0.0 111.799 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.44 -41.31 89.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.741 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -63.74 -41.87 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.46 -40.83 98.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.875 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.96 99.06 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -42.04 98.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.777 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.92 -39.92 94.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.415 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.7 mtt -61.58 -42.86 99.46 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.746 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.1 t -62.76 -43.39 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 0.0 110.505 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.144 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 62.0 mt . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.737 0.303 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.0 p -68.46 -14.2 62.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.353 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -108.34 12.32 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.86 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m0 -97.52 133.55 41.94 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 121.054 0.454 . . . . 0.0 111.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.13 162.17 9.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.26 -46.44 83.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.893 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.86 93.97 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.24 -42.36 99.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.075 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.35 -39.48 93.97 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.372 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 -49.54 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -38.74 91.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.081 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.1 m -60.63 -45.54 93.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.23 -47.97 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.691 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -62.36 -38.24 88.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 80.5 p -88.48 -1.65 58.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 64.0 p -56.64 131.47 49.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.22 0.533 . . . . 0.0 110.821 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 71.1 m -115.65 -4.46 12.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.291 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -130.18 143.77 50.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.939 0.4 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.0 pt -67.0 -27.43 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.74 -44.23 94.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.182 0.515 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.51 -41.63 92.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.6 -42.47 96.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.141 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.68 87.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.976 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.15 97.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.858 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.0 m -64.73 -41.91 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.406 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -61.66 -43.56 98.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.342 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.1 -42.65 96.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -62.68 -41.6 99.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.526 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -62.45 -45.02 94.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.63 -47.36 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.821 0.344 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -63.67 -42.89 98.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.763 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.05 -41.3 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.126 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.16 -40.89 98.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.6 -41.69 98.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.9 t -64.47 -41.16 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.12 -48.31 82.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.415 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.21 93.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.774 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 120.699 0.285 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.623 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.318 -0.786 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.055 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 121.016 0.436 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -39.04 90.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.045 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.93 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.623 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.3 -41.37 86.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.468 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.5 22.35 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.135 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -150.23 -60.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.141 0.496 . . . . 0.0 110.95 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.86 -7.82 87.5 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 19.39 77.69 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 159.36 85.64 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-O 120.645 0.26 . . . . 0.0 110.759 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.96 -18.16 19.07 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.383 2.056 . . . . 0.0 112.261 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.868 -179.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.6 p -69.23 162.09 68.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.189 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.18 -42.67 52.63 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.357 2.038 . . . . 0.0 111.888 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.06 -41.16 86.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.362 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.72 -43.16 99.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.7 mtm -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.33 90.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.33 -41.17 96.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -45.64 93.2 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.653 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.76 -39.8 94.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.503 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -62.65 -41.5 99.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.657 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 56.2 mt . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.556 0.217 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.1 p -64.24 -17.3 63.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -94.98 -10.91 29.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 10.9 m0 -77.43 134.74 38.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.48 159.06 16.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 48.8 t80 -56.87 -47.2 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.95 94.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.67 -44.43 93.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.04 -39.48 93.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.444 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.27 -47.28 86.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.068 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.61 -38.7 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.154 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.4 m -61.73 -44.68 96.45 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.743 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.02 -45.16 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.976 0.417 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.54 -38.24 86.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.0 p -92.51 -1.78 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 38.1 t -68.4 128.28 36.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.518 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 17.3 p -113.38 0.28 14.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.756 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -114.94 136.91 52.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.662 0.268 . . . . 0.0 110.296 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 16.7 tt -64.32 -34.88 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.93 -40.78 95.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.429 . . . . 0.0 110.227 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.13 -42.49 98.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.689 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.13 79.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.349 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.76 96.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 85.7 m -67.25 -40.33 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.198 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.46 -42.15 99.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.8 -41.35 95.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.23 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -40.08 94.32 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.338 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -65.39 -40.07 93.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.32 -44.32 97.39 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.604 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.74 -41.89 87.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -64.74 -41.14 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.242 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.52 -41.01 98.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 45.9 tttp -62.22 -45.07 94.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.635 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.1 t -61.65 -42.22 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 110.059 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 92.1 t80 -59.18 -46.99 86.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.81 -46.34 89.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.235 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.23 99.23 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.29 -45.34 94.89 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -61.87 -40.58 95.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.45 -38.84 88.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.94 -42.61 99.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.43 97.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.324 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.57 -43.75 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.73 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.409 . . . . 0.0 110.653 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.9 -41.07 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.831 0.348 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.21 27.57 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -149.74 -62.16 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 110.445 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.54 -3.83 80.73 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.21 20.1 74.7 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.18 158.79 83.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.192 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.13 -38.52 66.47 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.558 2.172 . . . . 0.0 112.32 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 CA-C-O 117.948 -1.473 . . . . 0.0 110.965 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 21.6 mtm . . . . . 0 C--O 1.227 -0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.4 p -70.69 157.9 89.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.223 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.07 -40.44 41.37 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.281 1.987 . . . . 0.0 111.886 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -41.28 95.79 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.444 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -64.61 -40.87 96.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.4 mtm -63.89 -40.33 96.25 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.187 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.439 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.96 -41.8 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.363 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.05 -39.72 94.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.433 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.6 mtt -61.51 -42.38 98.72 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.551 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -61.64 -45.33 94.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.319 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 44.0 mt . . . . . 0 C--O 1.227 -0.111 0 CA-C-O 120.316 0.103 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 84.9 p -60.7 -20.9 62.18 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -99.5 -1.73 37.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.3 m0 -81.1 139.01 35.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.117 0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -63.5 160.28 16.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.55 -46.59 83.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.75 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.97 -42.53 99.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.81 -39.1 93.03 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.489 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -58.88 -49.46 77.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 109.829 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.4 -38.64 91.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.1 m -60.61 -43.9 96.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.457 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.86 -46.66 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.005 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.74 -38.54 88.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 81.7 p -89.91 -1.68 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.413 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 42.1 t -72.49 123.71 23.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.758 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.3 m -113.06 -2.71 14.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.4 pt -68.9 -28.0 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.09 -44.48 92.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.103 0.478 . . . . 0.0 110.632 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.12 -40.4 86.83 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.32 -42.55 95.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.285 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.268 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.96 81.61 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.065 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 27.2 p -72.18 -34.82 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.547 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -60.97 -47.18 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.374 0.607 . . . . 0.0 110.289 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.58 -40.72 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.39 -41.43 93.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.026 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.07 -44.63 97.09 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.586 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.88 -42.79 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.28 -42.03 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -64.34 -42.77 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.33 -39.64 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.335 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.06 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.0 t -62.25 -42.4 95.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.953 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 71.2 t80 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -46.83 88.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.365 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 75.2 t90 -59.66 -46.16 89.87 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 120.843 0.354 . . . . 0.0 110.395 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -56.83 -44.54 82.15 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.631 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.313 -0.995 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.613 179.637 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.28 -39.6 93.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.31 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.54 -42.86 99.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.59 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.533 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.43 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.62 -42.35 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -98.89 21.42 11.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.998 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.34 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.64 -5.78 81.21 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.53 21.1 76.06 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.78 151.33 91.06 Favored Pre-proline 0 C--N 1.332 -0.189 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.933 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.99 53.37 4.0 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.223 1.949 . . . . 0.0 111.77 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 117.964 -1.465 . . . . 0.0 110.92 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.1 mtm . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 47.5 p -68.72 161.13 73.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.93 -40.85 74.54 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.45 2.1 . . . . 0.0 111.952 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.62 -41.8 87.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.89 -40.12 94.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.64 -41.14 98.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.026 0.441 . . . . 0.0 109.993 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.78 97.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -41.24 97.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.0 -41.82 99.69 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.7 mtt -64.06 -39.63 94.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -40.15 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 48.3 t -59.03 -29.99 67.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.161 0.505 . . . . 0.0 110.211 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -92.09 3.92 54.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.322 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.0 m95 -95.69 132.62 40.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -65.63 161.09 21.2 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 84.9 t80 -57.13 -46.11 82.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.72 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -43.41 98.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.613 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.75 -39.37 93.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.261 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -59.94 -48.79 80.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 110.507 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.13 -38.59 91.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.212 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.3 m -61.61 -46.27 90.55 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -48.71 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.013 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 3.6 t -89.61 -1.69 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.018 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 45.8 t -62.2 138.16 58.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 98.0 m -120.67 18.49 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 37.6 t0 -148.29 149.29 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -70.77 -27.55 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.694 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.16 -46.92 84.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.665 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.41 -40.71 89.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.95 -43.54 98.55 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.009 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.07 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.14 95.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.126 0.488 . . . . 0.0 110.861 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.0 m -65.81 -40.12 91.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.017 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.52 -41.95 98.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.79 -40.32 88.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.09 -40.95 97.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -64.01 -44.64 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.605 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.28 -47.53 85.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.693 0.283 . . . . 0.0 110.63 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.72 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -64.06 -41.46 97.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.89 -40.29 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.41 -45.99 91.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 70.7 t -61.98 -40.18 86.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.058 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.05 -47.12 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 56.8 m170 -61.31 -42.44 98.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.92 99.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.325 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.37 -45.51 94.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -62.53 -38.3 89.46 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.243 179.595 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.76 -39.68 92.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.245 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.9 -40.84 98.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.453 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.99 -42.21 98.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.023 0.44 . . . . 0.0 110.511 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.67 99.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.458 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.422 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.11 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.61 -41.06 86.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -102.09 27.57 6.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.553 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -150.47 -61.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.105 0.479 . . . . 0.0 110.647 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 -3.32 81.07 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.6 75.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.94 158.12 88.27 Favored Pre-proline 0 N--CA 1.453 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.801 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -71.72 -20.83 25.97 Favored 'Trans proline' 0 C--N 1.302 -1.895 0 C-N-CA 122.544 2.163 . . . . 0.0 112.356 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.029 -1.429 . . . . 0.0 110.749 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.7 mtm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.776 0.322 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 161.05 81.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.39 -43.36 50.07 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.562 2.174 . . . . 0.0 111.927 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.63 -41.27 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.33 -41.29 98.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.19 -41.72 99.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.85 -42.67 99.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.19 -40.41 96.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 30.2 mtt -62.88 -41.69 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.88 -40.96 99.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.784 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.612 0.244 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.5 p -64.0 -16.56 61.89 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -102.04 -12.22 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -73.73 135.54 43.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.796 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.35 160.31 19.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -57.44 -47.04 82.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.038 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.52 94.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.61 -42.83 98.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.412 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.26 -39.57 94.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.546 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.48 -47.75 84.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.188 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.05 -38.68 91.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.173 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.0 m -61.46 -44.51 96.97 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.573 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.78 -46.84 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.04 -37.12 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 75.0 p -90.86 -1.52 57.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.7 t -72.33 125.58 27.71 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.037 0.446 . . . . 0.0 110.208 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 87.9 m -108.15 -3.39 18.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.8 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -113.66 141.38 47.29 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 110.573 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.6 pt -70.11 -26.64 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.566 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -47.23 81.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.456 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.12 -40.84 95.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.255 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.41 -42.0 95.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.873 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.56 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.209 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.81 95.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.65 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.1 m -66.13 -40.49 90.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.33 -43.1 99.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.41 -40.04 85.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -62.82 -41.06 99.15 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.508 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.48 -44.78 93.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.382 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.11 -47.32 85.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.618 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -62.78 -43.99 97.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -62.72 -41.97 99.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.31 -41.04 98.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.669 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.95 -44.67 96.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.395 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.1 t -62.08 -40.98 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.97 -48.43 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.56 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.34 -47.48 83.63 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.69 0.281 . . . . 0.0 110.34 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.115 179.632 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.936 0.398 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -39.45 92.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.551 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.42 -42.69 99.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.52 -42.31 99.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.689 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.36 -45.06 95.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.04 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.59 -40.78 85.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.62 26.3 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -151.6 -63.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.235 0.54 . . . . 0.0 110.845 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.22 -6.29 88.91 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 20.07 76.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.9 158.74 85.54 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.043 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.15 -23.63 21.08 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.93 -1.483 . . . . 0.0 110.902 -179.684 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 74.5 mtp . . . . . 0 C--O 1.223 -0.324 0 CA-C-O 120.695 0.283 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.0 p -70.31 161.66 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.68 -42.05 58.56 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.018 1.812 . . . . 0.0 111.673 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.73 -40.59 88.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.9 -42.99 97.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.99 -39.7 94.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.8 -42.85 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.602 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.38 -38.14 89.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.492 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -44.47 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 89.9 p -64.36 -37.81 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.213 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.603 0.239 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.7 p -63.89 -16.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 110.377 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -96.52 -8.67 31.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -80.81 135.16 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.31 161.59 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.21 -46.49 79.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.788 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.66 95.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.375 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.95 -43.22 96.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.27 -39.37 92.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.814 0.34 . . . . 0.0 110.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -58.92 -49.46 77.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.813 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.68 -38.55 90.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.5 m -61.24 -42.96 99.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.406 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -60.15 -47.47 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -62.02 -38.61 89.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.0 p -89.0 -1.66 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.345 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 39.8 t -71.82 121.17 18.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.109 0.48 . . . . 0.0 110.765 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.8 m -113.98 -2.99 13.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.533 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -113.14 143.13 44.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.4 pt -67.61 -28.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.739 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -44.6 90.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.16 -40.77 86.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.217 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.64 -42.26 96.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.367 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.7 86.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.064 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.66 83.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.156 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 26.2 p -71.32 -35.75 71.35 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.643 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -63.83 -43.8 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.28 -42.93 99.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.253 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.07 -40.53 96.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.68 -44.18 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.93 -48.7 79.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.759 0.314 . . . . 0.0 111.007 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.96 -44.24 97.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -61.13 -42.14 98.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.89 -41.13 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.327 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.53 -45.33 93.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -60.82 -42.7 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.927 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -59.37 -46.89 87.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.69 -47.21 86.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.4 98.84 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 84.8 t90 -61.33 -46.68 89.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.938 0.399 . . . . 0.0 110.409 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -61.75 -38.71 88.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.525 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.311 -1.08 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.033 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.016 0.436 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.81 -39.84 93.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -40.59 96.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.69 -42.25 99.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.86 95.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.75 -43.95 97.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.73 -42.03 87.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.9 mt -100.32 21.53 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.649 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -144.17 -62.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.081 0.467 . . . . 0.0 110.796 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.42 -3.3 84.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.537 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 20.62 77.29 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.86 159.9 84.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.806 0.336 . . . . 0.0 111.036 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.28 -20.0 24.99 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.342 2.028 . . . . 0.0 112.139 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.864 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.3 mtm . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 49.6 p -68.61 162.22 64.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.24 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.63 -42.5 61.87 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.242 1.962 . . . . 0.0 111.948 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -68.46 -36.68 79.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -63.24 -42.86 99.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.185 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.27 -39.81 94.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.806 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.06 94.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.728 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.38 -42.74 99.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.65 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.698 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.645 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.3 t -62.85 -43.07 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.56 0.219 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 94.9 p -68.93 -11.48 60.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -94.35 -11.15 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.779 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -82.34 136.02 35.08 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.079 0.466 . . . . 0.0 110.7 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.8 158.39 21.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.637 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 66.6 t80 -56.35 -46.88 79.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.804 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.22 -43.26 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.679 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.22 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.389 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.92 -47.65 84.92 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.131 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 64.5 t0 -65.03 -39.76 93.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.172 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 97.5 m -60.01 -44.94 94.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.58 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.73 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.12 -38.87 87.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.024 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.8 t -91.58 -2.38 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.233 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 40.3 t -67.6 134.6 51.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.466 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.1 m -114.65 -5.04 12.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.574 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.68 140.28 48.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 47.2 pt -69.43 -26.96 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.692 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.44 -46.45 86.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.231 0.539 . . . . 0.0 110.599 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.2 -39.88 89.96 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.059 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.44 -42.73 96.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.853 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.75 88.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.278 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.74 96.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 87.9 m -66.64 -40.76 88.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.45 -42.2 99.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.06 -40.49 94.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.34 -42.58 91.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.272 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -64.72 -41.16 96.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.26 -47.93 83.89 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.305 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -64.79 -42.05 95.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.002 0.429 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -63.21 -40.71 98.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.736 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -62.95 -40.7 98.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.189 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.0 t -63.5 -41.72 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.0 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.261 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.47 -48.34 82.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.07 99.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.88 -44.66 94.07 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 122.066 -0.396 . . . . 0.0 110.536 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -58.59 -46.51 86.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.833 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--N 1.312 -1.046 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.515 -179.811 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.011 0.434 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.32 -40.12 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.27 -40.64 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.74 -42.81 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.1 96.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.406 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.33 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.508 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.56 90.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.48 -42.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.962 0.41 . . . . 0.0 110.744 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -101.52 26.48 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -147.67 -62.14 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.062 0.458 . . . . 0.0 110.526 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.01 -3.66 79.35 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.21 22.27 78.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.15 160.01 83.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.39 -19.89 24.75 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.442 2.095 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.008 -1.44 . . . . 0.0 110.76 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 82.0 mtp . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 120.521 0.2 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 68.3 p -71.95 160.48 82.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.379 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.36 -44.35 43.9 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.259 1.973 . . . . 0.0 111.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -68.0 -39.33 83.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.4 -45.49 94.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -62.6 -40.22 96.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.955 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.44 -41.59 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.764 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.71 98.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.795 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 37.6 mtt -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.335 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.694 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.96 -179.556 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 69.1 mt . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.679 0.276 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.2 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.374 . . . . 0.0 110.598 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -89.67 -8.66 51.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.93 139.54 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.94 159.59 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.89 -47.9 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.835 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.98 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.765 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.64 -43.17 97.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.37 -39.55 92.42 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.672 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.97 -47.14 87.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.748 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.89 -39.6 93.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.077 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.7 m -59.93 -44.68 94.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.569 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.66 -46.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.31 -38.78 88.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.07 -3.1 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 41.6 t -65.96 135.95 55.41 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.919 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 83.9 m -116.09 -4.65 11.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.552 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -115.36 139.55 49.9 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.0 pt -69.79 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.41 -46.19 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.22 -40.08 90.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 80.0 mt -60.68 -43.32 97.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.711 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.14 88.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.369 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.73 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.7 m -65.93 -41.09 91.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -61.87 -44.34 97.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.8 -39.59 91.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.542 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.15 -39.18 93.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.009 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -64.18 -41.0 97.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.413 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.05 -47.03 87.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.098 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -60.84 -45.7 93.47 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.965 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -60.57 -42.57 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.06 -39.63 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.37 -48.04 83.45 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.619 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 56.9 t -62.25 -40.92 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.019 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -58.32 -47.54 83.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.28 -45.79 92.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.176 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.29 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.31 -46.37 90.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.723 0.296 . . . . 0.0 110.332 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.89 -38.77 89.57 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.448 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.313 -0.98 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.758 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.989 0.424 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -61.58 -38.86 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.39 -44.03 97.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -41.94 98.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.596 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.0 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.13 -43.65 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.345 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.64 96.61 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.81 -41.59 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.62 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.2 mt -102.15 27.93 6.25 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -156.91 -61.92 0.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.072 0.463 . . . . 0.0 110.438 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.34 -10.6 84.45 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.35 76.96 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.6 146.29 85.77 Favored Pre-proline 0 N--CA 1.455 -0.204 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.065 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -82.95 50.25 3.31 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.044 1.829 . . . . 0.0 112.204 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.799 179.776 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 14.1 mtm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 33.4 p -69.35 160.89 77.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.86 -42.39 57.97 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.26 1.973 . . . . 0.0 111.943 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.34 -42.23 88.43 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.836 0.351 . . . . 0.0 110.485 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.66 -42.53 98.07 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.26 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.376 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.99 -42.7 99.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.59 -40.33 96.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.621 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.7 mtt -62.74 -41.53 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.666 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 95.2 p -64.57 -38.3 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.744 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.702 0.287 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -67.06 -14.04 62.51 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.99 0.424 . . . . 0.0 110.423 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -94.37 -8.15 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.5 m0 -84.92 133.21 34.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.36 161.24 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.36 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.792 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.41 95.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.823 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.51 -44.01 95.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.51 -39.99 94.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.38 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.15 -48.25 82.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.071 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.26 -38.61 90.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.383 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.8 m -61.01 -44.91 96.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.18 -46.37 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.39 -38.54 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.3 t -91.53 -3.56 56.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 40.5 t -65.07 134.25 53.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.546 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -117.26 2.5 12.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.65 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -119.7 135.79 54.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 17.9 tt -61.93 -34.99 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.25 -44.55 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.383 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.33 -40.91 96.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 110.212 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.77 -42.75 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.825 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.69 79.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.282 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.84 95.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.726 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 94.8 m -68.82 -39.9 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.9 -42.97 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.25 -42.2 93.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.284 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -61.31 -41.23 96.66 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.76 -44.04 97.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.89 -47.84 84.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 0.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -63.16 -42.05 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.401 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -63.51 -41.44 98.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.73 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.74 -40.11 96.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -60.66 -46.02 91.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.526 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 71.7 t -62.51 -40.74 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.2 t80 -58.96 -48.07 82.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.372 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.73 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.64 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.61 -46.73 89.16 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.743 0.306 . . . . 0.0 110.476 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.21 -37.88 87.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.109 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -61.31 -39.65 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.92 -41.64 98.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.64 -42.57 99.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.531 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.19 95.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.448 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.24 -44.24 97.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.96 92.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.67 -40.82 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.718 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.13 25.4 8.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -148.9 -63.26 0.23 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.461 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.86 -5.64 86.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.25 20.2 77.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.8 161.0 81.5 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.775 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 -21.76 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.617 2.211 . . . . 0.0 112.206 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.816 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 44.4 p -72.75 160.92 81.66 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 -39.44 87.64 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.478 2.119 . . . . 0.0 111.929 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.78 -40.1 95.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.84 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.2 -41.58 99.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.146 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.59 97.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.53 -40.04 92.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.673 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.49 -43.59 98.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 76.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.594 0.235 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 97.7 p -65.53 -15.48 62.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -91.79 -10.88 38.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -83.17 134.96 34.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.998 0.428 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -63.47 160.78 15.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.684 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.3 -47.21 82.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.82 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.528 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.73 -43.1 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.56 -39.29 91.52 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.273 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -59.57 -48.71 80.6 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.889 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.51 -38.68 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.988 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.2 m -60.12 -45.21 93.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.08 -47.21 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.013 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -61.88 -39.22 91.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 5.6 t -89.86 -2.09 58.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.5 t -61.46 137.42 58.24 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 110.599 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 76.0 m -120.84 19.32 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 33.0 t0 -147.97 149.41 32.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.74 -28.1 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.73 -45.45 89.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.48 -40.84 85.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.356 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.59 -44.07 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.863 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.07 74.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.239 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.14 97.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.745 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 87.0 m -68.59 -40.1 80.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.274 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.05 -40.38 94.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.44 -40.97 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.049 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.63 -40.74 92.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.796 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.4 -47.68 85.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.346 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -65.04 -42.35 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -63.79 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.9 -40.83 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.668 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -44.99 95.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.866 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.7 t -63.44 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.009 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.68 -47.4 85.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.954 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 61.0 m170 -63.15 -42.49 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.365 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.12 98.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 71.9 t90 -60.12 -45.57 92.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.777 0.323 . . . . 0.0 110.449 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.46 -40.22 82.05 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.354 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 C--N 1.315 -0.919 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.26 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.055 0.455 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -62.91 -39.5 94.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.066 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.41 -40.55 96.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.33 -42.74 98.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.36 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.43 97.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -61.5 -44.26 97.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.79 90.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.046 0.45 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 82.8 mt -59.47 -42.25 87.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.34 23.75 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -143.98 -61.42 0.39 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.147 0.499 . . . . 0.0 110.423 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.3 -3.41 75.53 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 21.16 77.45 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.94 159.06 86.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.675 0.274 . . . . 0.0 111.014 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.89 -19.16 31.07 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.239 1.959 . . . . 0.0 112.256 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 117.951 -1.472 . . . . 0.0 110.834 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 6.8 mtp . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.624 0.25 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.9 p -68.25 161.14 71.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.446 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.97 -42.5 66.26 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.024 1.816 . . . . 0.0 111.693 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.48 -40.02 89.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -63.83 -42.38 97.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.576 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.35 -40.42 95.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.118 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.65 98.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.592 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.46 96.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.11 -42.72 99.51 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.593 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.2 t -63.21 -42.71 99.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.73 -179.613 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 65.4 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.746 0.308 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 98.1 p -66.55 -14.66 62.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -93.12 -8.91 41.29 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.89 136.41 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 58.4 mttp -62.58 160.67 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -57.72 -47.98 80.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.669 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.81 94.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.741 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.4 -43.15 98.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.732 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.13 -39.5 93.12 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.16 -48.01 83.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.8 t0 -64.94 -39.56 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 91.9 m -60.23 -45.37 93.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.787 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.97 -46.78 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -61.13 -38.8 87.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.0 t -91.25 -2.94 57.34 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 40.8 t -65.82 136.04 55.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.86 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 16.7 p -116.31 -8.15 11.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.39 139.54 44.22 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 42.2 pt -69.64 -27.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.88 -45.4 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.213 0.53 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.53 -40.11 88.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.47 -43.02 97.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.01 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.47 87.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.184 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 89.6 m -65.28 -41.48 94.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -60.51 -45.51 93.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.359 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.13 -39.76 86.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.649 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.93 -39.96 96.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.182 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -63.71 -41.07 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.249 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 20.4 m170 -62.02 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.45 -45.28 91.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.346 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -63.33 -42.48 98.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.178 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.96 -45.15 95.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.923 0.392 . . . . 0.0 110.652 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.6 t -63.28 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.067 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -58.87 -48.58 80.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.31 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.65 -47.22 87.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.382 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.05 88.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.83 -45.74 93.3 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.285 0.564 . . . . 0.0 110.562 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.97 -40.08 87.86 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.282 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.054 0.454 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -62.03 -39.54 92.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.38 -39.73 95.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.5 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.94 -43.07 99.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.74 94.7 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.546 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.02 -43.88 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.448 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.39 97.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.073 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.83 -42.54 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.48 27.22 5.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -155.69 -61.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.81 -8.7 87.63 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.51 78.01 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.33 158.42 85.36 Favored Pre-proline 0 C--O 1.225 -0.189 0 CA-C-O 120.908 0.385 . . . . 0.0 111.305 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.77 -21.97 20.91 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.189 1.926 . . . . 0.0 112.297 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 118.002 -1.444 . . . . 0.0 110.745 -179.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.2 mtm . . . . . 0 CA--C 1.523 -0.082 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.3 p -70.52 161.01 79.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -40.47 81.91 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.269 1.979 . . . . 0.0 111.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.23 -42.35 88.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.95 -39.72 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 7.3 mtp -61.6 -42.01 98.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.97 0.414 . . . . 0.0 110.028 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.12 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.716 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.11 -41.26 98.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.409 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.73 -41.66 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.494 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -63.14 -40.79 98.59 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 70.9 m -63.29 -40.95 98.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.62 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.544 0.211 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 56.8 p -64.06 -20.24 65.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -103.88 -2.13 26.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.06 131.51 35.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.88 163.13 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.52 -46.3 83.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.856 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.11 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -42.87 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.45 -37.97 88.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -59.24 -46.58 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.45 -38.33 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.954 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.1 m -61.33 -43.75 98.34 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.91 -47.31 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -62.76 -37.71 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.6 p -89.6 -1.28 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 60.1 p -59.37 127.29 31.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.469 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.6 p -121.95 -7.73 8.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.357 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -122.93 150.78 42.5 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.75 -28.66 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.07 -44.66 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.273 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.36 -41.01 94.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.45 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 56.3 mt -60.68 -41.4 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.535 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.67 77.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.44 72.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.769 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 23.3 p -69.84 -40.48 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.02 -42.12 99.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.418 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.88 -41.2 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.45 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.9 -40.51 93.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -63.86 -42.5 97.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.403 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -62.74 -44.62 95.75 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.923 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.96 -43.28 88.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.128 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.08 -40.36 96.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.618 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.81 -45.01 95.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.799 0.333 . . . . 0.0 110.407 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.1 t -62.62 -41.11 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 93.0 t80 -58.45 -46.9 85.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.164 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.13 -48.52 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 80.9 t90 -61.04 -45.44 94.79 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.142 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -62.27 -38.73 90.44 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.677 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.122 0.486 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.72 -38.78 89.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.248 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.26 -41.95 98.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.258 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.13 -42.38 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.51 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.53 -43.98 97.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.73 91.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.323 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.47 -40.6 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.5 25.79 9.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -149.62 -61.68 0.22 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.076 0.465 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.93 -3.71 85.28 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.02 77.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.58 157.81 89.11 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.983 0.42 . . . . 0.0 111.167 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.42 -20.79 20.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.41 2.074 . . . . 0.0 112.276 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.772 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.63 -26.88 53.44 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.672 2.248 . . . . 0.0 112.459 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 33.2 mttt 47.55 37.5 6.6 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.5 mtm -84.9 146.57 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 46.9 p -68.72 160.09 78.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -51.66 -42.68 55.28 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.256 1.971 . . . . 0.0 111.851 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.3 -40.75 86.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.627 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -63.36 -42.99 98.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.73 -40.17 96.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.036 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -61.74 -42.48 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.628 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 30.1 mtt -61.76 -42.12 98.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.59 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.0 t -62.98 -42.67 99.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.43 -40.9 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -66.74 -40.09 88.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.66 -40.35 92.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.5 m -68.88 -39.97 79.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.6 -44.81 95.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.888 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -130.5 75.89 0.42 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.45 143.8 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.764 2.31 . . . . 0.0 111.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -132.95 98.04 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 79.1 t -66.16 -41.72 89.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.307 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 55.8 mt 63.52 20.63 12.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 73.3 p -79.16 167.16 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.76 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -64.03 -11.75 32.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.945 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.93 47.47 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.64 87.22 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.426 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -68.66 135.01 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.373 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.67 72.96 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 1.3 m -104.56 -40.96 5.84 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.445 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.63 -21.46 66.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.055 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 92.3 mttt -61.31 -23.84 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.279 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -61.42 135.41 57.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.11 0.481 . . . . 0.0 110.24 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -95.39 104.98 16.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 24.0 mt -118.56 -11.41 9.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 91.3 p -63.03 -17.82 62.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.908 0.385 . . . . 0.0 110.252 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -91.22 -7.6 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -86.93 133.31 33.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.012 0.434 . . . . 0.0 110.534 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.8 160.37 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.824 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.2 -47.13 82.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.969 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.58 94.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.661 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 74.0 mt -64.93 -39.84 94.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.541 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -60.06 -47.31 86.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.969 0.414 . . . . 0.0 110.18 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 60.3 t0 -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.281 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.0 m -60.66 -44.97 95.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.748 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.01 -46.74 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.96 -38.21 87.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 67.8 p -90.69 -1.88 57.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 45.1 t -66.3 127.12 30.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.595 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -113.03 3.15 16.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.883 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -119.18 136.8 54.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.633 0.254 . . . . 0.0 110.471 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 17.1 tt -64.37 -36.26 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.246 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.05 -43.8 98.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.4 -39.37 92.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.304 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 70.1 mt -60.61 -43.23 97.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.826 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.73 88.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.57 98.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.806 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.9 m -66.1 -40.23 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.166 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.6 -41.21 97.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.314 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.09 -42.1 97.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.593 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.81 -40.75 97.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.38 -44.16 95.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.737 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -62.2 -46.96 86.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -63.58 -42.55 98.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.88 -42.4 97.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.92 -40.2 95.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.769 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.0 tptt -61.23 -45.63 93.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.7 t -62.96 -40.97 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.034 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.13 -47.3 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.35 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -61.31 -42.66 99.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.849 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 75.8 t90 -60.71 -45.55 93.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.022 0.439 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -61.31 -36.93 81.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 46.8 t -60.82 -41.01 94.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.066 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.89 -46.37 82.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.007 0.432 . . . . 0.0 110.812 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -70.21 -39.11 75.34 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.535 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -72.1 -40.49 68.14 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.516 0.674 . . . . 0.0 110.553 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -138.33 148.37 44.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 118.14 -0.934 . . . . 0.0 110.512 179.575 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.695 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.59 -39.97 93.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.121 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.21 -39.75 93.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.04 -44.05 97.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.85 -44.33 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.83 -41.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.754 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.6 mt -102.0 26.11 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.578 -179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -148.78 -61.36 0.24 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.014 0.435 . . . . 0.0 110.421 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.69 -3.36 80.78 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.4 22.1 76.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.32 159.13 86.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.898 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.87 -23.66 21.97 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.364 2.043 . . . . 0.0 112.25 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.883 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.818 -179.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.28 144.9 52.61 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.905 2.403 . . . . 0.0 111.862 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.17 -28.04 69.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.271 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.0 mtm -73.84 142.1 46.12 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.298 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.1 p -71.42 161.97 75.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.653 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.17 -43.35 53.85 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 121.973 1.782 . . . . 0.0 111.702 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.19 -40.92 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.515 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -64.34 -41.01 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.35 -40.77 98.21 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.61 99.33 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.633 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.66 -41.95 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.72 -39.89 94.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.65 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 34.3 mtt -63.01 -41.81 99.65 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.607 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.51 -42.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.07 -43.56 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.419 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -69.8 -39.79 76.37 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 75.7 mt -64.2 -39.91 94.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.785 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.7 m -69.58 -39.37 77.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.382 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -57.46 -50.09 74.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.475 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -98.43 149.97 19.27 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.183 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.87 85.69 1.79 Allowed 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.3 2.0 . . . . 0.0 112.079 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.54 87.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 55.0 t -59.43 -46.96 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.29 -40.45 95.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.68 99.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.366 0.603 . . . . 0.0 110.121 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 94.1 m -63.22 -46.11 88.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.751 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.17 -40.7 98.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.727 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -62.3 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.368 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 171.5 109.87 0.01 OUTLIER 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.3 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 81.86 2.61 90.6 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 91.7 m -61.42 -40.84 95.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.948 0.404 . . . . 0.0 110.72 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.98 -43.5 98.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.495 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -65.95 -37.86 87.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.646 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.94 106.27 16.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.76 97.3 8.52 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.56 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 45.1 mt -106.23 3.32 27.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.858 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -68.81 -10.75 58.53 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.261 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -98.34 -9.94 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.03 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -82.15 136.25 35.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.021 0.438 . . . . 0.0 110.914 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.66 160.06 14.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.952 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.8 t80 -57.15 -47.02 82.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.645 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.61 91.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.412 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.88 -43.3 96.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 64.5 mt -66.01 -39.54 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.2 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.15 -48.18 82.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.812 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.75 -39.71 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.07 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.2 m -60.34 -44.02 95.89 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.669 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.72 -47.31 93.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 0.0 111.036 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -62.28 -38.83 90.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 9.7 t -90.66 -0.79 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.528 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 80.4 p -62.86 152.41 36.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.234 0.54 . . . . 0.0 110.796 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 19.5 p -129.72 -4.69 4.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.05 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -126.21 140.99 52.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.124 0.488 . . . . 0.0 111.272 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 48.1 pt -68.52 -25.44 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.02 -46.31 88.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 56.4 tp -66.5 -41.38 88.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.976 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.13 -42.12 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.663 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.33 88.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.295 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.109 0.481 . . . . 0.0 110.945 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 84.7 m -67.65 -40.6 84.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.45 -44.02 97.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.085 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.64 -39.97 92.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.347 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.56 -40.4 96.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.096 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.99 -40.68 98.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 61.4 m170 -63.23 -42.67 99.27 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.705 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.8 -43.43 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.552 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -63.3 -41.96 99.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.91 -41.44 95.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.317 . . . . 0.0 110.73 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -62.84 -42.99 99.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.4 t -63.9 -42.48 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.932 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.29 -48.11 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.41 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -60.64 -46.4 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.06 96.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 76.0 t90 -59.89 -46.01 90.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 120.727 0.299 . . . . 0.0 110.4 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -61.98 -37.38 84.6 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 48.3 t -60.1 -43.11 95.83 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.08 -45.85 83.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.164 0.507 . . . . 0.0 111.21 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -69.39 -39.97 77.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.677 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.98 -40.53 68.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -130.71 137.01 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.16 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.575 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.03 -42.66 99.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.664 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.44 95.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.489 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.05 -43.35 99.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.43 97.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.08 -43.02 99.75 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.513 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.17 -42.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.649 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.9 mt -98.13 19.15 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.987 -178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -144.4 -62.21 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.754 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.99 -6.99 88.46 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.67 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.85 79.39 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.05 159.45 83.99 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.674 0.273 . . . . 0.0 111.072 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.43 -20.72 23.6 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.311 2.007 . . . . 0.0 112.291 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.98 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.49 133.78 23.11 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.933 2.422 . . . . 0.0 111.806 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -75.41 -28.64 59.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 16.4 mtm -72.53 152.02 42.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.0 p -71.11 162.33 73.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.16 -41.37 65.63 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.285 1.99 . . . . 0.0 111.639 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.33 -40.7 85.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.03 -41.51 99.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.429 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.25 99.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.79 -41.08 97.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -62.8 -41.81 99.44 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.623 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.6 m -63.7 -40.82 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.62 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.22 -41.84 98.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -67.17 -39.67 86.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 110.448 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.92 -39.09 79.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 73.4 m -63.06 -44.98 94.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -72.68 -27.98 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -90.9 156.69 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.19 152.07 50.02 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.895 2.397 . . . . 0.0 112.207 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -98.95 100.94 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 14.7 p -158.21 133.4 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.11 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.728 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 64.5 22.09 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.627 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.3 130.01 28.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.98 1.31 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -160.4 153.69 21.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.147 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -63.64 -20.31 65.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.612 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.55 78.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -63.12 -40.04 98.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 86.0 m -63.56 -41.4 98.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.98 0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -61.01 -41.76 97.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -61.87 -36.81 82.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.192 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -110.05 37.22 2.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.04 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.94 87.22 2.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.93 23.37 9.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.698 -179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -61.11 -17.96 55.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.632 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.27 -12.64 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -72.56 134.88 45.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.62 160.42 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.841 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.82 -46.51 81.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.724 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.76 93.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -63.21 -43.43 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.663 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 64.5 mt -64.88 -38.35 90.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.367 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.16 -47.72 82.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.203 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.4 t0 -64.82 -39.39 93.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.878 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.9 m -60.21 -42.45 95.16 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.71 -47.31 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -62.47 -37.49 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 70.6 p -89.92 -1.78 58.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.963 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.1 t -66.39 128.64 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 120.992 0.425 . . . . 0.0 110.377 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 79.2 m -123.71 22.0 9.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.64 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -148.39 151.97 36.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.635 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.18 -27.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.983 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.31 -46.24 87.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.534 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.17 -40.24 86.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.5 -40.45 94.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.759 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.79 70.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.41 -48.59 74.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.478 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 12.7 p -71.42 -41.13 69.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.72 -42.24 98.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.342 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.92 -43.29 96.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.168 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.03 -41.59 98.26 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -60.39 -44.23 95.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.521 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.12 -46.98 88.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.73 -41.51 95.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.53 -42.04 98.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.06 -40.57 98.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.642 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 18.7 tptm -61.74 -44.69 96.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.89 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.201 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -59.21 -47.56 84.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.452 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 53.1 m170 -62.57 -41.65 99.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.401 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.32 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 68.7 t90 -60.51 -46.0 91.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.808 0.337 . . . . 0.0 110.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.68 -39.11 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.5 m -63.15 -40.57 97.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -65.59 -45.57 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.156 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -71.02 -38.28 72.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.501 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.28 -67.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -75.73 130.94 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.405 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.614 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.5 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.17 -42.01 98.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.64 -39.92 93.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.01 -40.7 98.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 0.0 110.539 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.57 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.49 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.02 91.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.322 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.3 -41.11 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.7 mt -101.67 26.45 7.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -150.94 -62.97 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.209 0.528 . . . . 0.0 110.854 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.9 -4.93 88.34 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.54 21.8 76.32 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.97 156.69 86.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.128 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -75.46 -20.85 15.6 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.461 2.107 . . . . 0.0 112.273 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.9 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.66 134.59 22.39 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.761 2.307 . . . . 0.0 112.153 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -95.7 -8.59 34.19 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.29 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 23.5 mtm -80.1 159.16 26.2 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.8 p -70.57 161.08 79.13 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.98 -42.32 59.07 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.294 1.996 . . . . 0.0 111.928 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -40.52 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.381 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.72 -41.06 98.14 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.4 mtm -63.27 -40.85 98.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.258 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.84 99.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.732 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.67 -41.2 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.49 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.97 -42.88 99.62 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.355 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 74.6 m -63.78 -41.3 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.23 -41.82 99.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.66 -40.91 88.83 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 82.0 mt -65.48 -41.82 92.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.488 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.9 t -64.3 -44.04 92.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.741 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -62.28 -39.89 94.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.214 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -69.29 -106.53 0.03 OUTLIER Glycine 0 CA--C 1.534 1.263 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -70.51 145.35 52.55 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.879 1.719 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.25 99.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 14.9 p -146.57 130.23 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.584 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 81.6 mt -106.36 14.6 27.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.143 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.2 -27.52 69.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.15 0.5 . . . . 0.0 110.254 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 2.1 m -66.82 150.68 48.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.649 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -91.1 17.35 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.465 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.68 141.5 57.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 110.241 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 62.18 20.55 11.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.52 -38.64 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 110.976 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -99.76 13.38 60.89 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 73.0 p -100.3 12.55 36.85 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 110.965 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -89.93 33.91 0.86 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -62.57 -23.69 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.15 136.42 55.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.318 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.2 t0 -89.1 77.21 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 71.3 mt -99.71 -1.59 37.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.046 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.9 p -68.0 -12.37 60.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.3 . . . . 0.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -98.06 -8.79 27.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -81.04 137.5 36.03 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.145 0.498 . . . . 0.0 110.706 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.67 161.91 14.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.751 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.99 -46.87 81.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.66 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.66 93.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.84 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.61 -39.32 93.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -59.56 -48.1 82.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.847 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.64 -39.03 93.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.958 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 97.8 m -59.9 -44.06 94.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.307 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.2 -48.26 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.57 -38.15 88.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 79.8 p -89.6 -1.2 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 62.7 p -57.3 129.99 44.25 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 110.594 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 -2.88 12.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.475 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -131.36 142.88 50.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.8 pt -67.44 -26.77 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.96 -44.97 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 50.8 tp -65.6 -41.48 92.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.861 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 55.7 mt -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.906 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.39 89.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.65 93.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.2 m -66.96 -40.59 87.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.499 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.54 -43.58 98.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.15 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.29 -40.19 89.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.46 -41.17 98.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.123 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -63.82 -42.97 97.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.495 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.22 -43.98 96.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.81 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -66.31 -42.09 88.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -64.25 -42.39 96.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 76.7 mt -63.68 -40.01 95.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.476 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.82 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.5 t -61.86 -41.85 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.87 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.32 -46.85 87.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.68 -47.08 87.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.42 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 77.7 t90 -60.65 -46.44 90.29 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.856 0.36 . . . . 0.0 110.361 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -62.79 -38.6 91.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.95 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 54.0 p -62.54 -37.34 85.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.97 -44.73 68.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 0.0 111.376 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -69.6 -38.78 77.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.356 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -80.46 -29.83 37.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.159 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -138.93 136.92 35.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.678 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.94 -42.72 99.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.667 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -61.45 -39.84 92.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.47 -40.68 97.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.5 -42.57 99.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.38 -40.15 96.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.19 -43.33 99.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.516 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.02 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 0.0 110.275 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.46 -41.89 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -100.98 23.61 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.682 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -144.77 -61.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.0 -2.89 74.06 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.35 22.09 76.18 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 159.2 84.16 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.425 0.155 . . . . 0.0 111.215 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.65 -38.7 59.49 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.196 1.931 . . . . 0.0 112.32 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.946 -1.475 . . . . 0.0 110.892 -179.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 157.91 49.84 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.088 2.525 . . . . 0.0 111.889 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -81.44 -3.12 51.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.097 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.9 mtm -64.43 145.79 55.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.166 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.2 p -70.34 160.9 79.43 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.23 -42.67 46.38 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.179 1.92 . . . . 0.0 111.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.31 -40.7 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -62.44 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.26 -40.33 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.984 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.92 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.47 -42.11 98.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.704 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.49 -40.73 97.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 34.9 mtt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.385 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -61.37 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.456 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.98 -42.97 99.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -66.74 -40.45 88.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.28 0.562 . . . . 0.0 110.304 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.46 -38.52 84.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.534 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.7 m -60.97 -45.57 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -77.47 -28.76 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.603 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -125.42 78.45 0.37 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.54 -39.43 82.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.239 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . 48.06 72.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 64.3 t -119.64 89.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.148 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 83.6 mt -64.98 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.452 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 62.94 40.87 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.491 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 13.1 t -150.47 175.46 11.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.762 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.33 -39.7 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.727 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 51.05 37.62 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.725 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.63 95.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.238 0.542 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -72.7 120.59 18.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.078 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 99.19 6.76 55.46 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 20.9 p -61.6 -25.75 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.385 -0.479 . . . . 0.0 110.934 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -61.18 -41.83 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 89.6 mttt -82.36 -24.98 34.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.52 . . . . 0.0 110.261 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -64.07 -33.18 75.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.24 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.8 t0 -71.95 77.77 0.91 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.074 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 73.9 mt -102.92 18.59 21.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 90.8 p -61.82 -17.03 54.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.94 0.4 . . . . 0.0 110.339 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -89.22 -10.65 46.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.8 m95 -85.74 130.81 34.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.69 159.81 15.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.824 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.55 -47.89 80.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.87 95.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.699 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.85 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.93 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.77 -39.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.149 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.27 -47.77 84.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.873 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.0 -39.83 95.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.5 m -61.78 -43.85 98.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.814 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.3 mt -61.46 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -61.34 -39.29 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.3 t -90.37 -2.95 58.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 45.8 t -65.37 134.09 52.78 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.025 0.441 . . . . 0.0 110.562 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.9 m -115.36 -5.45 12.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.389 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -114.9 143.88 44.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.856 0.36 . . . . 0.0 110.669 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.8 pt -69.59 -27.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.04 -45.05 90.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.107 0.48 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.52 -40.57 89.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.142 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 84.9 mt -60.62 -44.58 96.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.546 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.66 81.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.54 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.56 98.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 84.0 m -67.22 -40.0 86.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.0 -41.08 95.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.56 -42.52 96.77 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.528 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -65.77 -38.55 89.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.418 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -61.37 -46.55 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.34 -42.36 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.49 -41.49 96.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.498 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.3 -40.11 95.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.418 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.49 -44.75 96.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.5 t -62.9 -41.94 94.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.1 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.93 -46.91 86.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.35 -46.86 87.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.36 98.67 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.015 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 79.9 t90 -60.97 -46.15 91.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.512 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -62.73 -36.57 83.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.325 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.4 m -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.081 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.58 -50.18 66.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.016 0.436 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -66.21 -39.34 89.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.327 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.33 -40.2 74.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.247 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -73.09 124.57 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.58 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.238 0.542 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.51 -37.37 80.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -62.33 -38.35 89.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.206 0.527 . . . . 0.0 109.643 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.61 -40.81 97.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -42.49 99.58 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.463 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.53 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.605 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.05 -42.85 99.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.692 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.03 93.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.108 0.48 . . . . 0.0 110.425 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.15 -41.73 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.2 23.29 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.714 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -147.44 -62.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.148 0.499 . . . . 0.0 110.873 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.38 -5.93 86.56 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.17 19.31 77.24 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.08 159.47 85.11 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.047 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.46 -21.6 25.9 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.279 1.986 . . . . 0.0 112.194 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 117.895 -1.503 . . . . 0.0 110.95 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.8 150.05 61.24 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.933 2.422 . . . . 0.0 112.04 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.2 pttt -62.22 -25.93 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp -68.93 138.06 54.31 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.5 p -73.2 161.61 78.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.213 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.09 -42.7 51.99 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.09 1.86 . . . . 0.0 111.858 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.46 -41.14 85.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.87 -42.39 99.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.1 -42.18 99.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.36 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.236 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -41.89 98.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.56 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 72.5 mtm -65.3 -39.29 92.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.3 m -62.05 -40.72 96.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.322 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.31 -42.16 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -67.09 -40.32 86.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.071 0.462 . . . . 0.0 110.477 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 83.1 mt -65.02 -40.45 94.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.877 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 89.9 p -64.15 -39.2 93.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.357 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -63.82 -40.26 96.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . 50.74 58.5 9.18 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -59.82 -28.8 88.06 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.742 2.294 . . . . 0.0 112.123 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -62.02 -38.3 88.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 8.0 t 58.89 19.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.531 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.36 -39.38 94.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 64.1 30.49 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 150.14 45.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.42 -39.55 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 55.03 34.2 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.91 92.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.88 95.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -64.97 -40.95 97.52 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 91.3 m -61.55 -42.38 98.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.87 -41.31 97.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.4 mttm -64.8 -38.2 90.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.946 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.01 104.65 14.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.803 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -80.23 101.66 9.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.494 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 46.8 mt -111.44 3.93 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.918 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.3 p -69.84 -10.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.327 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -98.42 -1.94 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -90.51 134.74 34.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.749 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 161.62 11.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -56.62 -47.45 79.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.93 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.95 95.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.486 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.971 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 54.4 mt -66.05 -39.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.757 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -48.92 79.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.066 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.32 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.26 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.0 m -60.55 -44.62 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.463 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 111.002 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -61.51 -38.71 88.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.38 -2.24 57.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 41.4 t -65.11 137.1 57.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.97 0.414 . . . . 0.0 110.619 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.2 p -118.1 -3.77 11.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.521 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.69 138.65 51.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.62 -27.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.94 -45.39 89.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.189 0.518 . . . . 0.0 110.518 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 47.1 tp -65.79 -40.42 91.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.03 -41.78 97.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.676 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.59 87.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.342 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.47 98.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.2 m -67.14 -40.32 86.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.66 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -61.52 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.16 -40.73 94.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.22 -39.91 95.97 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.245 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.951 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -60.91 -48.89 79.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.94 -44.32 96.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.79 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.12 -40.45 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.43 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -61.41 -46.7 89.02 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.339 . . . . 0.0 110.438 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 59.8 t -62.27 -40.52 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -58.74 -48.2 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.19 -45.94 92.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.11 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.82 90.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 71.2 t90 -60.95 -45.9 92.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.463 0.649 . . . . 0.0 110.217 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.05 -35.49 77.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.26 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.6 m -69.07 -38.89 79.31 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -67.81 -29.09 68.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.481 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -92.95 -40.15 10.74 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.396 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -72.69 -41.49 65.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.206 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -113.38 123.44 50.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.631 179.775 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.3 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.081 0.467 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.54 -39.79 92.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.66 -40.75 98.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.4 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.26 97.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.26 -44.57 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.19 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.71 -40.43 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.9 mt -103.59 26.87 7.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.511 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.92 -62.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.045 0.45 . . . . 0.0 110.456 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.5 -6.1 87.83 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.329 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.44 20.65 78.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.95 159.83 82.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.331 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.68 -25.09 24.74 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.352 2.034 . . . . 0.0 112.094 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.797 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.08 -43.31 49.11 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.683 2.255 . . . . 0.0 112.189 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -123.18 -65.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.631 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 19.3 mtm -141.79 163.94 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 32.2 p -69.97 162.63 67.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.406 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.75 -41.9 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.195 1.93 . . . . 0.0 111.709 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.65 -40.49 92.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.206 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -63.81 -41.3 97.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.9 -41.21 99.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.81 97.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -62.54 -41.36 98.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.905 0.383 . . . . 0.0 110.462 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 27.5 mtt -63.55 -40.74 97.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.523 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 73.5 m -63.35 -40.42 97.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.668 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.28 -42.57 99.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -67.36 -40.96 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 0.0 110.594 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.7 m -63.24 -43.56 97.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -64.27 -39.37 93.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.73 166.18 53.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.21 140.49 94.46 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.898 2.399 . . . . 0.0 111.995 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -112.3 -11.87 13.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 55.8 t -61.7 -43.6 97.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 92.4 mt -64.39 -25.23 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.18 -34.51 70.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.236 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 72.9 p -126.39 158.94 34.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 49.88 36.47 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.521 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -159.87 -66.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 53.18 82.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.2 146.31 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -94.11 0.95 67.03 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 79.7 p -69.93 -20.62 63.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.86 -14.74 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -53.48 -20.58 4.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.738 0.304 . . . . 0.0 110.968 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -62.23 144.23 55.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.027 0.442 . . . . 0.0 110.131 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -89.73 76.52 7.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.681 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 73.2 mt -101.39 -0.16 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.947 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 93.7 p -69.6 -11.02 60.5 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.447 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -94.0 -11.07 31.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -81.02 138.39 36.03 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.0 158.07 23.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.61 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -55.69 -46.53 77.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.807 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.26 94.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.22 -43.57 97.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.854 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.1 -39.85 94.95 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.466 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -59.84 -47.93 83.73 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.255 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.19 -39.11 92.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -44.41 97.45 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.41 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.0 -46.99 95.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.79 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -62.28 -38.08 87.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.4 p -90.14 -2.33 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 38.9 t -71.76 128.92 37.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.089 0.471 . . . . 0.0 110.37 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 13.7 p -109.51 -4.66 16.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.606 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.45 138.6 48.97 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.95 0.405 . . . . 0.0 110.655 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.3 pt -69.43 -27.73 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.08 -45.62 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.51 -40.2 92.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 82.3 mt -60.72 -42.49 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.798 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.92 88.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.448 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.69 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.87 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.7 m -66.32 -40.59 90.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.599 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.61 -42.33 98.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.98 -40.95 95.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.41 -40.96 92.85 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.131 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -62.89 -43.21 99.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -62.5 -44.79 95.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.836 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -64.69 -41.87 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -64.39 -41.98 96.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.78 -41.0 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.56 -45.81 92.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 78.8 t -63.66 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.9 t80 -58.59 -47.72 83.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.047 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.5 -46.19 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.442 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.45 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.475 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 72.3 t90 -60.77 -45.02 95.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.243 0.544 . . . . 0.0 110.874 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.44 -39.48 83.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 67.6 m -79.75 -20.46 46.3 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -71.34 -32.97 69.17 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 9.9 p30 -99.81 -37.49 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.863 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.97 -40.39 71.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -116.51 136.89 52.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.872 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.78 -42.1 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.737 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.43 -42.15 98.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.571 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.61 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.343 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.32 -44.08 97.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.35 93.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.395 . . . . 0.0 110.326 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.94 -41.48 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -101.65 28.13 5.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 -179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -150.71 -61.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.153 0.501 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.71 -2.54 75.55 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.44 21.13 75.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.81 160.28 83.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.905 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.57 -25.24 21.21 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.529 2.153 . . . . 0.0 112.432 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.842 -179.758 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.8 -25.85 45.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.702 2.268 . . . . 0.0 112.264 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 33.8 mttt 47.59 36.29 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.9 mtm -84.17 150.84 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.9 p -71.59 162.13 74.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.991 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.47 -43.16 56.66 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.187 1.925 . . . . 0.0 111.832 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.81 -41.19 87.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -63.55 -42.48 98.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.306 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.99 -40.48 96.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.19 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.956 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.31 -41.89 98.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.516 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.07 -39.58 94.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -61.32 -42.73 99.15 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.549 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -41.16 96.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.091 0.472 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.86 -41.64 97.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 96.3 p -66.49 -38.2 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.534 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.78 -40.39 97.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.488 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -66.17 133.08 33.63 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -75.66 141.31 24.65 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.263 1.975 . . . . 0.0 112.254 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . 47.34 90.59 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.043 0.449 . . . . 0.0 110.869 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 62.9 t -58.69 -44.34 89.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.281 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 72.7 mt -107.94 40.09 1.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -59.18 -37.68 77.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.206 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 69.1 p -116.71 159.45 22.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.0 10.43 41.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.742 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 55.08 46.56 23.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.645 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.41 89.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.71 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -135.93 165.66 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 83.88 22.95 54.28 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 99.4 m -58.61 -38.48 78.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.64 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -59.63 -43.2 93.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.19 -29.37 63.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.229 0.538 . . . . 0.0 110.089 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1084 ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' B' 1084 ' ' TYR . 11.4 m-30 -68.1 -28.38 67.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.721 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -75.16 77.47 2.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 71.2 mt -106.52 17.74 22.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.392 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.2 p -61.3 -18.1 56.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -86.19 -13.52 46.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.5 m95 -81.45 133.46 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.71 159.44 13.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.76 -48.27 80.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.824 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.69 94.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.26 -43.07 99.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.25 -39.66 94.4 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -59.6 -47.19 86.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.831 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.49 -40.23 95.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.214 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.9 m -60.3 -44.13 95.67 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.23 -46.6 94.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 110.659 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.4 -36.81 83.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.5 p -89.64 -1.95 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.658 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 66.2 m -61.15 130.18 45.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.916 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.5 m -113.58 -2.85 13.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.605 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -127.55 151.4 48.93 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.6 pt -69.56 -28.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.17 -44.94 90.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.091 0.472 . . . . 0.0 110.48 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 51.5 tp -66.11 -40.53 90.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.012 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.25 -42.63 98.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.66 -31.45 71.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.377 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.87 88.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.978 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.4 m -69.6 -40.18 76.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.539 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.975 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.37 -43.21 95.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.88 -41.3 97.78 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.34 -43.46 98.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.14 -47.58 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -63.8 -41.7 97.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -63.1 -41.55 99.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.763 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.33 -39.81 94.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.263 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 16.8 tptm -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 75.5 t80 -58.29 -48.3 80.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.356 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.79 -45.15 95.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.194 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 64.5 t90 -61.31 -46.1 91.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.296 0.569 . . . . 0.0 110.414 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.82 -36.39 78.93 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.021 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 44.1 t -66.73 -41.46 87.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.865 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.054 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -92.35 -39.73 11.31 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 111.881 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -72.01 -39.61 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.363 0.601 . . . . 0.0 110.153 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.1 137.88 54.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.729 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.56 -40.92 96.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.23 -39.51 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.53 -42.93 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.55 -39.99 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.35 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.39 -44.67 96.74 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.739 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.63 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.942 0.401 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.1 -41.28 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.946 0.403 . . . . 0.0 110.624 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.8 mt -101.57 26.07 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.644 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -150.31 -62.08 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.017 0.437 . . . . 0.0 110.351 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -4.55 86.41 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.3 21.45 77.3 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.24 159.35 83.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 111.009 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 -21.46 20.78 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 118.049 -1.417 . . . . 0.0 110.604 -179.813 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.1 146.13 98.01 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.222 2.615 . . . . 0.0 111.796 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 23.4 pttp -62.98 -23.44 67.44 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.681 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp -68.25 141.12 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.569 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 81.9 p -71.28 157.64 89.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.042 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.4 -42.21 49.01 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.196 1.931 . . . . 0.0 111.799 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.44 -41.31 89.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.741 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -63.74 -41.87 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.46 -40.83 98.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.875 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.96 99.06 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -42.04 98.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.777 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.92 -39.92 94.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.415 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.7 mtt -61.58 -42.86 99.46 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.746 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.1 t -62.76 -43.39 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 0.0 110.505 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.75 -41.85 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.144 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.65 -40.62 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.977 0.418 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.19 -41.54 97.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.5 m -64.35 -41.42 96.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.682 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -62.89 -41.16 99.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -88.93 171.63 39.35 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.44 141.61 97.76 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.93 2.42 . . . . 0.0 111.945 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -118.31 -43.0 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.033 0.444 . . . . 0.0 110.783 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.3 t -61.63 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.746 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.3 -40.19 95.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.814 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 80.9 p -68.9 -41.43 78.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.508 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.83 -40.25 96.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.677 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.3 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.687 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 46.56 32.05 1.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -156.16 160.18 39.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 154.49 -49.17 0.5 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 11.4 t -77.69 -14.02 59.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.669 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 5.2 mptt -97.6 -28.53 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.673 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.53 132.65 53.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.212 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.59 76.73 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 62.0 mt -101.05 -3.89 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.0 p -68.46 -14.2 62.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.353 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -108.34 12.32 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.86 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m0 -97.52 133.55 41.94 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 121.054 0.454 . . . . 0.0 111.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.13 162.17 9.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.26 -46.44 83.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.893 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.86 93.97 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.24 -42.36 99.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.075 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 64.4 mt -64.35 -39.48 93.97 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.372 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 -49.54 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -38.74 91.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.081 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.1 m -60.63 -45.54 93.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.693 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.23 -47.97 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.691 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -62.36 -38.24 88.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 80.5 p -88.48 -1.65 58.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 64.0 p -56.64 131.47 49.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.22 0.533 . . . . 0.0 110.821 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 71.1 m -115.65 -4.46 12.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.291 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -130.18 143.77 50.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.939 0.4 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.0 pt -67.0 -27.43 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.6 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.74 -44.23 94.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.182 0.515 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.51 -41.63 92.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 48.3 mt -60.6 -42.47 96.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.141 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.68 87.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.976 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.15 97.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.858 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.0 m -64.73 -41.91 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.406 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -61.66 -43.56 98.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.342 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.1 -42.65 96.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -62.68 -41.6 99.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.526 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -62.45 -45.02 94.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.63 -47.36 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.821 0.344 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -63.67 -42.89 98.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.763 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.05 -41.3 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.126 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.16 -40.89 98.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.406 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.6 -41.69 98.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.9 t -64.47 -41.16 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.12 -48.31 82.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.415 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.21 93.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.774 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 78.7 t90 -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 120.699 0.285 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.623 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 60.1 p -64.08 -32.64 74.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -69.27 -40.51 77.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 0.0 110.79 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -91.22 -3.18 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.586 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -123.76 -61.04 1.41 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.044 0.449 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -78.24 160.83 27.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.239 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.457 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.1 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -39.04 90.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.045 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.93 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.623 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.3 -41.37 86.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.468 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.8 mt -98.5 22.35 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.135 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -150.23 -60.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.141 0.496 . . . . 0.0 110.95 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.86 -7.82 87.5 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 19.39 77.69 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.11 159.36 85.64 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-O 120.645 0.26 . . . . 0.0 110.759 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.96 -18.16 19.07 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.383 2.056 . . . . 0.0 112.261 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.868 -179.832 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.6 141.76 90.84 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.117 2.545 . . . . 0.0 111.737 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -63.87 -24.77 67.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.4 mtm -66.42 141.72 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.695 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.6 p -69.23 162.09 68.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.189 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.18 -42.67 52.63 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.357 2.038 . . . . 0.0 111.888 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.06 -41.16 86.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.362 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.72 -43.16 99.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.7 mtm -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.33 90.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.33 -41.17 96.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -45.64 93.2 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.653 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.76 -39.8 94.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.503 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -62.65 -41.5 99.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -41.38 99.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -64.72 -39.42 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.063 0.458 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 81.9 mt -63.76 -41.24 98.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.597 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 89.3 p -66.33 -37.87 86.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -63.65 -40.19 96.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.99 166.93 53.18 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.88 149.14 72.06 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.712 2.274 . . . . 0.0 112.177 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -116.21 22.68 12.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.634 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 80.3 t -104.68 124.75 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 78.3 mt 57.23 21.78 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.65 76.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.312 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 9.9 t -62.11 -43.25 99.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 67.5 mttm -62.03 -41.25 97.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.55 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -62.71 -42.57 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.63 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.73 92.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -83.21 -10.98 81.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 76.0 p -114.39 5.14 15.57 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -68.57 -20.34 64.52 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.739 0.304 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.97 -21.38 66.07 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.114 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -77.89 125.04 28.75 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.0 0.429 . . . . 0.0 110.716 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -90.12 76.72 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.289 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 56.2 mt -100.17 -3.07 32.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.1 p -64.24 -17.3 63.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -94.98 -10.91 29.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 10.9 m0 -77.43 134.74 38.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.48 159.06 16.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 48.8 t80 -56.87 -47.2 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.95 94.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.67 -44.43 93.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.04 -39.48 93.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.444 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.27 -47.28 86.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.068 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.61 -38.7 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.154 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.4 m -61.73 -44.68 96.45 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.743 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.02 -45.16 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.976 0.417 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.54 -38.24 86.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.0 p -92.51 -1.78 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 38.1 t -68.4 128.28 36.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.518 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 17.3 p -113.38 0.28 14.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.756 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -114.94 136.91 52.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.662 0.268 . . . . 0.0 110.296 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 16.7 tt -64.32 -34.88 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.93 -40.78 95.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.429 . . . . 0.0 110.227 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 76.5 mt -61.13 -42.49 98.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.689 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.13 79.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.349 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.46 -43.76 96.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 85.7 m -67.25 -40.33 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.198 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.46 -42.15 99.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.8 -41.35 95.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.23 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -40.08 94.32 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.338 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -65.39 -40.07 93.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.32 -44.32 97.39 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.604 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.74 -41.89 87.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -64.74 -41.14 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.242 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 61.3 mt -63.52 -41.01 98.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 45.9 tttp -62.22 -45.07 94.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.635 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.1 t -61.65 -42.22 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 110.059 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 92.1 t80 -59.18 -46.99 86.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.81 -46.34 89.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.235 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.23 99.23 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 78.9 t90 -61.29 -45.34 94.89 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -61.87 -40.58 95.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.102 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 83.4 p -64.86 -36.16 83.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.22 -46.17 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.222 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -72.61 -38.06 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.542 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -85.21 -66.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 49.0 tptt -75.24 129.16 36.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.614 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.5 -41.9 99.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.45 -38.84 88.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.94 -42.61 99.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.43 97.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.324 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.57 -43.75 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.73 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.409 . . . . 0.0 110.653 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.9 -41.07 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.831 0.348 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.21 27.57 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -149.74 -62.16 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 110.445 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.54 -3.83 80.73 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.21 20.1 74.7 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.18 158.79 83.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.192 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.13 -38.52 66.47 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.558 2.172 . . . . 0.0 112.32 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 CA-C-O 117.948 -1.473 . . . . 0.0 110.965 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.35 138.44 84.41 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.86 2.373 . . . . 0.0 112.058 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 65.2 pttt -70.75 -26.56 63.42 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.181 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 21.6 mtm -88.78 153.15 21.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.299 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.4 p -70.69 157.9 89.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.223 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.07 -40.44 41.37 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.281 1.987 . . . . 0.0 111.886 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -41.28 95.79 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.444 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -64.61 -40.87 96.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.4 mtm -63.89 -40.33 96.25 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.187 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.439 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.96 -41.8 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.363 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.05 -39.72 94.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.433 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.6 mtt -61.51 -42.38 98.72 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.551 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -61.64 -45.33 94.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -68.02 -40.3 82.95 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.532 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.11 -42.54 96.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 48.4 t -64.3 -46.49 83.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -64.63 -40.48 95.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.314 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -72.66 158.91 53.42 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 149.68 46.89 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.565 2.176 . . . . 0.0 112.181 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -143.55 88.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.788 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 83.3 t -127.8 122.67 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 43.7 mt 46.34 44.1 12.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.367 0.603 . . . . 0.0 111.022 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 92.9 m -60.97 -45.36 95.08 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.784 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -62.81 -38.52 91.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.45 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.54 94.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.697 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . 60.54 11.73 3.19 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.239 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 70.53 19.15 76.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -48.91 2.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.697 0.284 . . . . 0.0 110.822 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 53.41 57.48 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.21 -38.52 83.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -57.91 130.4 46.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.226 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.7 84.69 6.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.028 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.27 -17.71 8.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.764 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 84.9 p -60.7 -20.9 62.18 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -99.5 -1.73 37.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.3 m0 -81.1 139.01 35.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.117 0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -63.5 160.28 16.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.55 -46.59 83.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.75 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.97 -42.53 99.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.81 -39.1 93.03 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.489 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -58.88 -49.46 77.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 109.829 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.4 -38.64 91.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 95.1 m -60.61 -43.9 96.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.457 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.86 -46.66 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.005 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.74 -38.54 88.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 81.7 p -89.91 -1.68 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.413 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 42.1 t -72.49 123.71 23.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.758 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.3 m -113.06 -2.71 14.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.4 pt -68.9 -28.0 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.09 -44.48 92.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.103 0.478 . . . . 0.0 110.632 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 52.3 tp -67.12 -40.4 86.83 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.08 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.32 -42.55 95.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.285 -179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.268 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.54 -47.96 81.61 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.065 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 27.2 p -72.18 -34.82 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.547 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -60.97 -47.18 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.374 0.607 . . . . 0.0 110.289 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.58 -40.72 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.39 -41.43 93.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.026 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.07 -44.63 97.09 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.586 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.88 -42.79 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.28 -42.03 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -64.34 -42.77 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.33 -39.64 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.335 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.06 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.0 t -62.25 -42.4 95.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.953 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 71.2 t80 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -46.83 88.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.365 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 75.2 t90 -59.66 -46.16 89.87 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 120.843 0.354 . . . . 0.0 110.395 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -56.83 -44.54 82.15 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.631 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 69.9 m -60.13 -38.06 81.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -59.64 -41.62 90.93 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.054 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 10.1 p30 -101.29 9.16 42.0 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.402 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -127.33 -62.58 1.09 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.98 0.419 . . . . 0.0 110.903 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -69.02 129.89 41.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.3 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.504 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.4 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.51 -42.08 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.28 -39.6 93.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.31 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.54 -42.86 99.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.59 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.452 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.533 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.43 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.62 -42.35 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -98.89 21.42 11.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.998 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.34 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.64 -5.78 81.21 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.53 21.1 76.06 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.78 151.33 91.06 Favored Pre-proline 0 C--N 1.332 -0.189 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.933 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.99 53.37 4.0 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.223 1.949 . . . . 0.0 111.77 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 117.964 -1.465 . . . . 0.0 110.92 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.48 149.2 68.39 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.679 2.252 . . . . 0.0 111.761 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.66 0.75 51.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.654 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.1 mtm -93.11 159.25 15.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 47.5 p -68.72 161.13 73.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.93 -40.85 74.54 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.45 2.1 . . . . 0.0 111.952 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.62 -41.8 87.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.89 -40.12 94.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.64 -41.14 98.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.026 0.441 . . . . 0.0 109.993 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.85 -40.78 97.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.573 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -41.24 97.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.0 -41.82 99.69 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.7 mtt -64.06 -39.63 94.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -40.15 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.01 -42.53 98.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -65.74 -40.71 92.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.21 0.529 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.47 -40.31 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 46.8 t -61.89 -42.47 99.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.392 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.67 -39.64 92.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.621 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -76.64 179.42 49.14 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.96 140.72 94.91 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.845 2.364 . . . . 0.0 112.168 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -90.88 -7.61 51.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 98.8 t -129.38 108.82 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-O 121.046 0.451 . . . . 0.0 110.122 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 65.78 35.88 6.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.693 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 15.0 t -153.67 175.4 13.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.715 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.78 95.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 50.41 27.16 2.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.78 97.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.537 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -166.05 117.94 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.516 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -109.92 -17.1 9.9 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 65.7 p -72.1 -20.66 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.685 0.278 . . . . 0.0 110.627 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.81 -40.77 92.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.829 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 57.2 mttm -89.78 -32.52 16.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.342 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -111.82 129.63 56.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.045 0.45 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.5 t0 -91.42 97.0 10.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.948 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.65 -21.13 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.753 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 48.3 t -59.03 -29.99 67.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.161 0.505 . . . . 0.0 110.211 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -92.09 3.92 54.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.322 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.0 m95 -95.69 132.62 40.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -65.63 161.09 21.2 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 84.9 t80 -57.13 -46.11 82.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.72 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -43.41 98.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.613 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.75 -39.37 93.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.261 179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -59.94 -48.79 80.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 110.507 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.13 -38.59 91.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.212 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.3 m -61.61 -46.27 90.55 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.563 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.34 -48.71 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.013 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 3.6 t -89.61 -1.69 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.018 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 45.8 t -62.2 138.16 58.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.616 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 98.0 m -120.67 18.49 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 37.6 t0 -148.29 149.29 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -70.77 -27.55 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.694 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.16 -46.92 84.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.665 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 45.1 tp -66.41 -40.71 89.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.95 -43.54 98.55 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.009 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.07 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.27 -44.14 95.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.126 0.488 . . . . 0.0 110.861 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.0 m -65.81 -40.12 91.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.017 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.52 -41.95 98.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.79 -40.32 88.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.09 -40.95 97.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -64.01 -44.64 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.605 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.28 -47.53 85.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.693 0.283 . . . . 0.0 110.63 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.72 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -64.06 -41.46 97.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.89 -40.29 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.41 -45.99 91.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 70.7 t -61.98 -40.18 86.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.058 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 91.0 t80 -59.05 -47.12 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 56.8 m170 -61.31 -42.44 98.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.92 99.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.325 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 74.6 t90 -61.37 -45.51 94.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -62.53 -38.3 89.46 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 72.7 m -62.71 -39.97 95.7 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.243 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -66.47 -47.35 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.146 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.24 -39.68 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.492 . . . . 0.0 111.29 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -71.5 -40.73 69.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.372 0.606 . . . . 0.0 110.411 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -131.78 137.03 48.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.645 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.57 -43.05 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.76 -39.68 92.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.245 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.9 -40.84 98.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.453 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.99 -42.21 98.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.023 0.44 . . . . 0.0 110.511 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.67 99.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.458 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.422 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.11 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.61 -41.06 86.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -102.09 27.57 6.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.553 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -150.47 -61.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.105 0.479 . . . . 0.0 110.647 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 -3.32 81.07 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.6 75.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.94 158.12 88.27 Favored Pre-proline 0 N--CA 1.453 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.801 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -71.72 -20.83 25.97 Favored 'Trans proline' 0 C--N 1.302 -1.895 0 C-N-CA 122.544 2.163 . . . . 0.0 112.356 179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.029 -1.429 . . . . 0.0 110.749 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.23 143.19 52.53 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.936 2.424 . . . . 0.0 111.911 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -69.27 -25.79 64.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.7 mtm -74.54 144.05 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.66 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 161.05 81.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.39 -43.36 50.07 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.562 2.174 . . . . 0.0 111.927 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.63 -41.27 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.33 -41.29 98.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.19 -41.72 99.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.85 -42.67 99.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.19 -40.41 96.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 30.2 mtt -62.88 -41.69 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.446 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.88 -40.96 99.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -61.34 -42.8 99.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -66.67 -40.97 88.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.651 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.27 -39.98 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.9 t -62.03 -44.62 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -61.65 -41.97 98.25 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -85.75 168.59 41.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -70.89 148.16 57.16 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.866 2.377 . . . . 0.0 112.157 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -177.8 27.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.675 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 53.0 t -61.59 -45.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -39.64 95.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 55.87 26.79 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 44.1 p -127.25 -47.95 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.478 . . . . 0.0 110.66 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 54.7 30.49 13.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.504 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 50.81 24.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 45.87 37.42 3.55 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -148.71 165.72 30.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 101.59 -17.0 55.91 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 5.8 t -109.74 -29.42 8.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.8 0.333 . . . . 0.0 110.429 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.6 -39.37 93.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -108.48 131.05 55.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.04 0.447 . . . . 0.0 110.43 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.08 76.99 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.129 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 64.5 mt -105.96 -7.75 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.982 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.5 p -64.0 -16.56 61.89 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -102.04 -12.22 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -73.73 135.54 43.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.796 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.35 160.31 19.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -57.44 -47.04 82.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.038 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.52 94.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.61 -42.83 98.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.412 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 62.6 mt -63.26 -39.57 94.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.546 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.48 -47.75 84.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.188 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.05 -38.68 91.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.173 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.0 m -61.46 -44.51 96.97 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.573 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.78 -46.84 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.04 -37.12 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 75.0 p -90.86 -1.52 57.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.7 t -72.33 125.58 27.71 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.037 0.446 . . . . 0.0 110.208 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 87.9 m -108.15 -3.39 18.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.8 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -113.66 141.38 47.29 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 110.573 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.6 pt -70.11 -26.64 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.566 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -47.23 81.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.456 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.12 -40.84 95.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.255 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 81.1 mt -60.41 -42.0 95.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.873 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.56 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.209 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.81 95.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.65 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.1 m -66.13 -40.49 90.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.33 -43.1 99.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.41 -40.04 85.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -62.82 -41.06 99.15 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.508 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -63.48 -44.78 93.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.382 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.11 -47.32 85.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.618 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -62.78 -43.99 97.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -62.72 -41.97 99.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.31 -41.04 98.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.669 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.95 -44.67 96.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.395 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.1 t -62.08 -40.98 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.97 -48.43 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.56 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 66.6 t90 -58.34 -47.48 83.63 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.69 0.281 . . . . 0.0 110.34 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.8 m -60.95 -40.03 91.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.115 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -65.49 -48.73 71.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -67.23 -39.85 86.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.079 0.466 . . . . 0.0 111.215 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -69.72 -38.41 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.595 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -83.72 120.84 26.5 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.856 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -39.45 92.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.551 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.42 -42.69 99.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.52 -42.31 99.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.689 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.36 -45.06 95.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.04 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.59 -40.78 85.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -101.62 26.3 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -151.6 -63.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.235 0.54 . . . . 0.0 110.845 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.22 -6.29 88.91 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 20.07 76.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.9 158.74 85.54 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.043 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.15 -23.63 21.08 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.93 -1.483 . . . . 0.0 110.902 -179.684 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.23 149.15 63.45 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.017 2.478 . . . . 0.0 112.023 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.09 -27.46 65.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 74.5 mtp -59.01 136.84 58.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.0 p -70.31 161.66 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.68 -42.05 58.56 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.018 1.812 . . . . 0.0 111.673 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.73 -40.59 88.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.9 -42.99 97.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.99 -39.7 94.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.8 -42.85 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.602 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.38 -38.14 89.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.492 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -44.47 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 89.9 p -64.36 -37.81 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.213 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.78 -40.75 98.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -67.52 -36.81 81.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.147 0.498 . . . . 0.0 110.141 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.96 -40.54 75.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.823 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 91.2 p -68.06 -41.79 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.348 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -28.65 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.357 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -95.51 -178.47 36.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -58.31 139.59 91.15 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.935 2.423 . . . . 0.0 111.869 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -147.46 99.77 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 83.2 t -126.23 124.47 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.15 27.0 9.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.75 69.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.819 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 73.5 p -126.71 170.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.772 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.8 -39.11 87.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.451 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -159.68 118.42 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.43 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -72.93 -80.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.664 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . 176.0 -179.31 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 110.573 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 120.18 -61.42 0.5 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 1.4 t -71.91 -20.08 61.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.41 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 62.9 mttp -67.61 -40.48 84.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.176 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -88.6 -32.2 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.521 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -111.49 132.79 54.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.65 77.49 4.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.34 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 74.7 mt -93.81 -5.57 47.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.176 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.7 p -63.89 -16.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 110.377 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -96.52 -8.67 31.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -80.81 135.16 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.31 161.59 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.21 -46.49 79.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.788 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.66 95.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.375 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.95 -43.22 96.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.27 -39.37 92.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.814 0.34 . . . . 0.0 110.501 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -58.92 -49.46 77.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.813 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.68 -38.55 90.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.5 m -61.24 -42.96 99.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.406 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -60.15 -47.47 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -62.02 -38.61 89.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.0 p -89.0 -1.66 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.345 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 39.8 t -71.82 121.17 18.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.109 0.48 . . . . 0.0 110.765 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.8 m -113.98 -2.99 13.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.533 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -113.14 143.13 44.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.4 pt -67.61 -28.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.739 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -44.6 90.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 59.5 tp -67.16 -40.77 86.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.217 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.64 -42.26 96.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.367 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.7 86.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.064 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.66 83.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.156 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 26.2 p -71.32 -35.75 71.35 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.643 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -63.83 -43.8 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.28 -42.93 99.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.253 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.07 -40.53 96.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -61.68 -44.18 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.93 -48.7 79.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.759 0.314 . . . . 0.0 111.007 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.96 -44.24 97.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -61.13 -42.14 98.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.89 -41.13 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.327 179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.53 -45.33 93.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -60.82 -42.7 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.927 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -59.37 -46.89 87.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.69 -47.21 86.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.4 98.84 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 84.8 t90 -61.33 -46.68 89.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.938 0.399 . . . . 0.0 110.409 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -61.75 -38.71 88.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.525 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.7 m -61.9 -41.22 97.65 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.033 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -65.44 -45.56 83.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -71.81 -39.68 69.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.45 . . . . 0.0 111.751 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.72 -40.84 65.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.565 0.697 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -134.48 147.09 50.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.589 179.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.565 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.81 -39.84 93.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -40.59 96.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.69 -42.25 99.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.86 95.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.75 -43.95 97.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.73 -42.03 87.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.9 mt -100.32 21.53 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.649 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -144.17 -62.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.081 0.467 . . . . 0.0 110.796 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.42 -3.3 84.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.537 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 20.62 77.29 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.86 159.9 84.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.806 0.336 . . . . 0.0 111.036 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.28 -20.0 24.99 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.342 2.028 . . . . 0.0 112.139 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.864 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.91 159.52 47.95 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.021 2.48 . . . . 0.0 111.932 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.95 -3.92 50.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.85 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.3 mtm -62.68 147.06 50.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 49.6 p -68.61 162.22 64.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.24 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.63 -42.5 61.87 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.242 1.962 . . . . 0.0 111.948 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -68.46 -36.68 79.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -63.24 -42.86 99.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.185 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.27 -39.81 94.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.806 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.1 -40.06 94.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.728 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.38 -42.74 99.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.65 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.698 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.645 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.3 t -62.85 -43.07 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -41.12 97.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.69 -40.58 88.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.455 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.77 -41.32 97.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.6 m -65.34 -41.2 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.68 -40.57 97.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.949 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -114.2 75.23 0.24 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.06 149.85 59.33 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.749 2.3 . . . . 0.0 112.213 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.96 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 8.9 t 46.97 30.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.657 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.1 -40.82 98.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 47.96 28.52 1.44 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.75 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 8.9 t -158.0 176.37 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.757 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -99.09 4.38 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.06 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -60.47 146.96 42.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.812 0.339 . . . . 0.0 110.606 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -145.74 97.62 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.08 90.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 93.7 19.34 34.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 76.4 p -67.21 -26.34 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.431 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.59 -12.29 31.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -55.39 -18.91 7.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -58.42 137.3 57.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.266 0.555 . . . . 0.0 110.09 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.1 t0 -87.34 78.22 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.481 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 73.8 mt -99.14 2.8 46.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 94.9 p -68.93 -11.48 60.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -94.35 -11.15 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.779 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -82.34 136.02 35.08 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.079 0.466 . . . . 0.0 110.7 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.8 158.39 21.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.637 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 66.6 t80 -56.35 -46.88 79.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.804 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.22 -43.26 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.679 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.22 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.389 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.92 -47.65 84.92 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.131 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 64.5 t0 -65.03 -39.76 93.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.172 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 97.5 m -60.01 -44.94 94.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.58 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 93.6 mt -61.73 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.12 -38.87 87.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.024 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.8 t -91.58 -2.38 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.233 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 40.3 t -67.6 134.6 51.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.466 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.1 m -114.65 -5.04 12.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.574 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.68 140.28 48.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 47.2 pt -69.43 -26.96 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.692 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.44 -46.45 86.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.231 0.539 . . . . 0.0 110.599 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.2 -39.88 89.96 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.059 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.44 -42.73 96.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.853 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.75 88.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.278 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.74 96.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 87.9 m -66.64 -40.76 88.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.45 -42.2 99.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.06 -40.49 94.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.34 -42.58 91.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.272 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -64.72 -41.16 96.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.26 -47.93 83.89 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.305 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -64.79 -42.05 95.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.002 0.429 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -63.21 -40.71 98.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 65.6 mt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.736 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -62.95 -40.7 98.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.189 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.0 t -63.5 -41.72 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.0 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.261 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.47 -48.34 82.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.07 99.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 76.5 t90 -59.88 -44.66 94.07 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 122.066 -0.396 . . . . 0.0 110.536 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -58.59 -46.51 86.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.833 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 96.9 p -59.23 -33.78 71.41 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.515 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -63.17 -44.24 96.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.948 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 10.7 p30 -99.12 8.99 44.37 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.669 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -127.5 -63.86 1.01 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.516 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -75.36 143.24 42.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.869 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -41.35 97.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.482 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.32 -40.12 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.27 -40.64 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.74 -42.81 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.1 96.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.406 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.33 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.508 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.56 90.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -59.48 -42.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.962 0.41 . . . . 0.0 110.744 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -101.52 26.48 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -147.67 -62.14 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.062 0.458 . . . . 0.0 110.526 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.01 -3.66 79.35 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.21 22.27 78.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.15 160.01 83.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.39 -19.89 24.75 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.442 2.095 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.008 -1.44 . . . . 0.0 110.76 -179.795 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.95 147.6 92.15 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.135 2.557 . . . . 0.0 112.038 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 26.3 pttm -62.61 -24.23 67.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.999 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 82.0 mtp -65.87 141.81 58.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.714 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 68.3 p -71.95 160.48 82.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.379 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.36 -44.35 43.9 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.259 1.973 . . . . 0.0 111.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -68.0 -39.33 83.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.4 -45.49 94.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -62.6 -40.22 96.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.955 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.44 -41.59 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.764 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.71 98.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.795 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 37.6 mtt -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.335 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.694 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -41.35 94.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.96 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 0.0 110.362 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.85 -40.29 94.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.386 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.5 t -61.79 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.69 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -83.38 -174.93 50.72 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.47 145.6 59.31 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -87.8 -7.63 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 94.6 t -118.17 118.29 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 84.3 mt -123.13 15.6 9.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.72 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.628 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 70.6 p -64.84 -45.22 87.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 8.8 mptt -64.8 -39.75 94.11 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.741 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.56 99.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.32 86.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.56 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.136 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 106.83 19.7 9.44 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 67.1 p -68.94 -29.12 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 110.522 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.14 -13.33 57.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.078 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -54.99 -19.64 7.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.929 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.92 134.86 54.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -91.9 76.45 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 69.1 mt -98.35 -6.46 30.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.2 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.374 . . . . 0.0 110.598 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -89.67 -8.66 51.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.93 139.54 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.94 159.59 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.89 -47.9 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.835 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.98 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.765 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.64 -43.17 97.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.37 -39.55 92.42 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.672 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.97 -47.14 87.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.748 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.89 -39.6 93.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.077 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.7 m -59.93 -44.68 94.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.569 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.66 -46.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.31 -38.78 88.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.07 -3.1 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 41.6 t -65.96 135.95 55.41 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.919 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 83.9 m -116.09 -4.65 11.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.552 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -115.36 139.55 49.9 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.0 pt -69.79 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.41 -46.19 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.22 -40.08 90.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 80.0 mt -60.68 -43.32 97.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.711 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.14 88.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.369 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.73 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.7 m -65.93 -41.09 91.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -61.87 -44.34 97.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.8 -39.59 91.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.542 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.15 -39.18 93.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.009 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -64.18 -41.0 97.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.413 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.05 -47.03 87.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.098 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -60.84 -45.7 93.47 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.965 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -60.57 -42.57 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 78.7 mt -64.06 -39.63 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.37 -48.04 83.45 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.619 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 56.9 t -62.25 -40.92 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.019 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 81.9 t80 -58.32 -47.54 83.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.38 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.28 -45.79 92.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.176 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.29 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 74.6 t90 -60.31 -46.37 90.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.723 0.296 . . . . 0.0 110.332 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -61.89 -38.77 89.57 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.448 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 47.8 t -61.66 -42.23 98.63 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.76 -45.16 87.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.449 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -71.04 -39.54 72.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.709 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -72.37 -40.41 67.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.693 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -130.5 138.64 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.696 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.2 mt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -61.58 -38.86 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.39 -44.03 97.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -41.94 98.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.596 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.82 -40.0 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.13 -43.65 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.345 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.64 96.61 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.81 -41.59 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.62 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.2 mt -102.15 27.93 6.25 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -156.91 -61.92 0.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.072 0.463 . . . . 0.0 110.438 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.34 -10.6 84.45 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.35 76.96 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.6 146.29 85.77 Favored Pre-proline 0 N--CA 1.455 -0.204 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.065 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -82.95 50.25 3.31 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.044 1.829 . . . . 0.0 112.204 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.799 179.776 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.82 139.44 33.48 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.673 2.248 . . . . 0.0 111.896 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.95 -7.05 53.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.819 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 14.1 mtm -71.77 145.07 48.97 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.768 0.318 . . . . 0.0 110.573 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 33.4 p -69.35 160.89 77.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.86 -42.39 57.97 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.26 1.973 . . . . 0.0 111.943 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.34 -42.23 88.43 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.836 0.351 . . . . 0.0 110.485 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.66 -42.53 98.07 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.26 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.376 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.99 -42.7 99.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.59 -40.33 96.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.621 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.7 mtt -62.74 -41.53 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.666 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 95.2 p -64.57 -38.3 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.35 -43.0 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 110.548 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.24 -40.72 96.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.546 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 48.2 t -62.8 -43.67 98.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -62.08 -40.16 94.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.459 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -79.99 161.94 46.09 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.96 146.88 42.58 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -100.97 -30.42 11.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.9 t -62.25 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.724 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.17 -25.67 66.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.79 -28.4 65.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 82.6 p -58.12 -64.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.19 -31.17 72.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.88 68.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.733 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -58.1 -35.85 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.447 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -83.71 -29.79 31.32 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 65.3 p -63.07 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.12 -41.23 98.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.91 -38.46 88.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.16 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -83.82 110.96 18.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.755 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.61 94.93 9.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.335 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 26.7 mt -113.75 2.52 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -67.06 -14.04 62.51 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.99 0.424 . . . . 0.0 110.423 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -94.37 -8.15 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.5 m0 -84.92 133.21 34.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.36 161.24 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.36 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.792 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.41 95.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.823 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.51 -44.01 95.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 74.6 mt -64.51 -39.99 94.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.38 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.15 -48.25 82.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.071 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.26 -38.61 90.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.383 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.8 m -61.01 -44.91 96.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.18 -46.37 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.39 -38.54 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.3 t -91.53 -3.56 56.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 40.5 t -65.07 134.25 53.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.546 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -117.26 2.5 12.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.65 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -119.7 135.79 54.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 17.9 tt -61.93 -34.99 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.25 -44.55 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.383 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.33 -40.91 96.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 110.212 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.77 -42.75 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.825 -179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.69 79.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.282 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.84 95.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.726 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 94.8 m -68.82 -39.9 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.9 -42.97 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.25 -42.2 93.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.284 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -61.31 -41.23 96.66 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.76 -44.04 97.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.89 -47.84 84.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 0.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -63.16 -42.05 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.401 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -63.51 -41.44 98.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.73 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.74 -40.11 96.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -60.66 -46.02 91.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.526 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 71.7 t -62.51 -40.74 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.2 t80 -58.96 -48.07 82.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.372 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.73 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.64 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 75.6 t90 -60.61 -46.73 89.16 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.743 0.306 . . . . 0.0 110.476 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.21 -37.88 87.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 71.0 m -62.01 -39.97 94.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.109 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -68.44 -44.73 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.967 0.413 . . . . 0.0 111.024 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.54 -39.5 77.41 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -73.28 -42.08 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -134.89 148.06 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.22 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.512 179.735 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.13 -42.78 99.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -61.31 -39.65 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.92 -41.64 98.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.64 -42.57 99.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.531 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.19 95.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.448 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.24 -44.24 97.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.96 92.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.67 -40.82 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.718 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.6 mt -101.13 25.4 8.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -148.9 -63.26 0.23 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.461 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.86 -5.64 86.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.25 20.2 77.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.8 161.0 81.5 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.775 -179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.18 -21.76 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.617 2.211 . . . . 0.0 112.206 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.816 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.21 -35.33 25.01 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.718 2.279 . . . . 0.0 112.26 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -122.66 -64.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.65 -172.52 4.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.845 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 44.4 p -72.75 160.92 81.66 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 -39.44 87.64 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.478 2.119 . . . . 0.0 111.929 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.78 -40.1 95.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.84 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.2 -41.58 99.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.146 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.59 97.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.5 mtm -65.53 -40.04 92.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.673 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.49 -43.59 98.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.41 -40.57 96.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -66.55 -39.12 88.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.399 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.63 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.7 t -63.12 -45.98 89.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.605 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.91 -40.67 97.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -45.77 102.9 0.05 OUTLIER Glycine 0 CA--C 1.535 1.312 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.43 -34.5 97.34 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.047 1.831 . . . . 0.0 112.129 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -60.87 -22.18 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.073 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 78.2 t -60.26 -42.87 92.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.3 mt 57.47 19.05 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 50.37 30.45 4.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.709 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 4.1 t -130.67 -31.12 1.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 25.4 mmtm 57.48 55.84 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.721 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -59.58 148.2 34.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -81.87 64.56 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.07 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.496 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 105.36 9.07 34.42 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 70.0 p -68.85 -25.79 64.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.212 0.53 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.5 pttt -61.67 -11.59 12.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.3 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 65.1 pttt -50.37 -22.4 1.83 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.613 0.244 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -68.14 139.5 56.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.976 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.8 t0 -88.79 76.72 7.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.687 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 76.7 mt -101.36 0.52 37.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.007 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 97.7 p -65.53 -15.48 62.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -91.79 -10.88 38.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -83.17 134.96 34.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.998 0.428 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -63.47 160.78 15.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.684 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.3 -47.21 82.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.82 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.528 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.73 -43.1 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.56 -39.29 91.52 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.273 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -59.57 -48.71 80.6 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.889 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.51 -38.68 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.988 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.2 m -60.12 -45.21 93.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.513 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.08 -47.21 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.013 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -61.88 -39.22 91.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 5.6 t -89.86 -2.09 58.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.5 t -61.46 137.42 58.24 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 110.599 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 76.0 m -120.84 19.32 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 33.0 t0 -147.97 149.41 32.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.74 -28.1 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.73 -45.45 89.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.48 -40.84 85.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.356 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 81.6 mt -60.59 -44.07 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.863 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.07 74.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.239 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.14 97.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.745 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 87.0 m -68.59 -40.1 80.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.274 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.05 -40.38 94.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.44 -40.97 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.049 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.63 -40.74 92.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.796 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.4 -47.68 85.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.346 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -65.04 -42.35 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -63.79 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.9 -40.83 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.668 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -44.99 95.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.866 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.7 t -63.44 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.009 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 87.5 t80 -59.68 -47.4 85.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.954 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 61.0 m170 -63.15 -42.49 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.365 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.12 98.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1124 ' ' TRP . . . . . 0.418 ' O ' ' ND2' ' B' 1128 ' ' ASN . 71.9 t90 -60.12 -45.57 92.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.777 0.323 . . . . 0.0 110.449 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -58.46 -40.22 82.05 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.354 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 52.4 p -65.99 -31.72 72.78 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.26 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.82 -46.18 89.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1128 ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' 1124 ' ' TRP . 2.9 p30 -84.76 -37.47 20.81 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.569 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.338 0.59 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -126.06 137.82 53.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.613 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.7 mt . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.24 -42.44 99.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -62.91 -39.5 94.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.066 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.41 -40.55 96.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.33 -42.74 98.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.36 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.43 97.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -61.5 -44.26 97.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.79 90.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.046 0.45 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 82.8 mt -59.47 -42.25 87.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.5 mt -101.34 23.75 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.564 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -143.98 -61.42 0.39 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.147 0.499 . . . . 0.0 110.423 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.3 -3.41 75.53 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 21.16 77.45 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.94 159.06 86.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.675 0.274 . . . . 0.0 111.014 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.89 -19.16 31.07 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.239 1.959 . . . . 0.0 112.256 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 117.951 -1.472 . . . . 0.0 110.834 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.22 153.67 61.97 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.037 2.492 . . . . 0.0 111.934 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 63.0 mttp -85.79 -5.88 59.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.957 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.99 143.84 54.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.624 0.25 . . . . 0.0 110.851 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.9 p -68.25 161.14 71.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.446 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.97 -42.5 66.26 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.024 1.816 . . . . 0.0 111.693 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.48 -40.02 89.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -63.83 -42.38 97.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.576 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.35 -40.42 95.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.118 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.65 98.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.592 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.46 96.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 34.3 mtt -62.11 -42.72 99.51 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.593 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.2 t -63.21 -42.71 99.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -41.24 96.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.73 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -65.99 -39.68 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.085 0.469 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.59 -41.39 98.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 93.3 p -66.1 -39.33 89.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -63.77 -40.21 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.01 153.44 51.22 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.79 141.84 34.48 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.35 2.034 . . . . 0.0 112.333 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -62.55 -20.71 64.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.9 t -59.83 -42.04 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.334 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.19 -40.13 95.44 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.76 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.46 91.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 72.7 p -67.61 -41.38 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.025 0.44 . . . . 0.0 110.616 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.82 -40.13 96.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.13 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.15 74.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.29 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 114.03 37.52 1.24 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 74.3 p -95.21 21.98 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 110.295 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.64 -75.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.717 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.06 20.17 11.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -104.65 130.1 52.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.346 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 60.8 t0 -89.55 84.11 6.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.259 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 65.4 mt -98.78 5.99 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 98.1 p -66.55 -14.66 62.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -93.12 -8.91 41.29 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.89 136.41 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 58.4 mttp -62.58 160.67 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -57.72 -47.98 80.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.669 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.81 94.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.741 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.4 -43.15 98.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.732 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 65.1 mt -65.13 -39.5 93.12 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.16 -48.01 83.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.8 t0 -64.94 -39.56 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 91.9 m -60.23 -45.37 93.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.787 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.97 -46.78 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -61.13 -38.8 87.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.0 t -91.25 -2.94 57.34 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 40.8 t -65.82 136.04 55.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.86 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 16.7 p -116.31 -8.15 11.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.39 139.54 44.22 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 42.2 pt -69.64 -27.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.88 -45.4 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.213 0.53 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 47.0 tp -66.53 -40.11 88.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.244 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.47 -43.02 97.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.01 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.47 87.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.184 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 89.6 m -65.28 -41.48 94.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -60.51 -45.51 93.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.359 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.13 -39.76 86.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.649 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.93 -39.96 96.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.182 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -63.71 -41.07 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.249 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 20.4 m170 -62.02 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.45 -45.28 91.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.346 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -63.33 -42.48 98.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.178 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 80.9 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.96 -45.15 95.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.923 0.392 . . . . 0.0 110.652 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.6 t -63.28 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.067 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -58.87 -48.58 80.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.31 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.65 -47.22 87.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.382 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.05 88.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.83 -45.74 93.3 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.285 0.564 . . . . 0.0 110.562 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.97 -40.08 87.86 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.282 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 82.5 p -77.62 -17.08 58.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -76.58 -33.85 58.46 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 7.3 p30 -101.02 -19.7 15.71 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.502 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -100.28 -42.54 6.62 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -108.53 177.92 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.022 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.558 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.09 -41.66 98.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -62.03 -39.54 92.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.38 -39.73 95.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.5 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.94 -43.07 99.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -39.74 94.7 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.546 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.02 -43.88 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.448 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.39 97.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.073 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.83 -42.54 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.9 mt -100.48 27.22 5.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -155.69 -61.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.81 -8.7 87.63 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.51 78.01 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.33 158.42 85.36 Favored Pre-proline 0 C--O 1.225 -0.189 0 CA-C-O 120.908 0.385 . . . . 0.0 111.305 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.77 -21.97 20.91 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.189 1.926 . . . . 0.0 112.297 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 118.002 -1.444 . . . . 0.0 110.745 -179.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 147.63 52.27 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 111.972 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.81 -8.39 58.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.815 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.2 mtm -90.5 163.56 14.58 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.3 p -70.52 161.01 79.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -40.47 81.91 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.269 1.979 . . . . 0.0 111.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.23 -42.35 88.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.95 -39.72 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 7.3 mtp -61.6 -42.01 98.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.97 0.414 . . . . 0.0 110.028 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.12 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.716 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.11 -41.26 98.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.409 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.73 -41.66 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.494 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -63.14 -40.79 98.59 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 70.9 m -63.29 -40.95 98.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.62 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.63 -41.52 99.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.97 -39.4 93.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.01 -41.88 99.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.658 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.0 m -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -61.72 -39.56 91.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -59.36 147.46 42.33 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.3 119.64 5.04 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.665 2.244 . . . . 0.0 112.253 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . 43.42 52.13 5.95 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.589 0.555 . . . . 0.0 110.792 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 66.9 t -60.33 -45.37 96.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.352 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.45 -26.07 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.711 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.61 82.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.43 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.88 -27.33 67.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.523 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 52.34 46.44 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.747 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.68 97.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.571 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 48.47 27.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -155.42 153.17 29.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.593 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 150.12 -39.32 0.88 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 81.2 p -78.02 -14.96 59.32 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.791 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -69.94 -40.72 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.837 0.351 . . . . 0.0 110.718 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -88.33 -29.33 20.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -114.4 131.23 56.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.781 0.324 . . . . 0.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -89.65 77.49 7.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.194 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1086 ' ' LEU . . . . . . . . . . . . . 70.2 mt -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 56.8 p -64.06 -20.24 65.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -103.88 -2.13 26.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.06 131.51 35.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.88 163.13 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.52 -46.3 83.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.856 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.11 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -42.87 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1094 ' ' LEU . . . . . . . . . . . . . 68.0 mt -65.45 -37.97 88.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -59.24 -46.58 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.45 -38.33 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.954 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 98.1 m -61.33 -43.75 98.34 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.601 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.91 -47.31 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -62.76 -37.71 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.6 p -89.6 -1.28 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 60.1 p -59.37 127.29 31.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.469 -179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.6 p -121.95 -7.73 8.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.357 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -122.93 150.78 42.5 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -69.75 -28.66 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.07 -44.66 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.273 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.36 -41.01 94.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.45 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 56.3 mt -60.68 -41.4 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.535 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.67 77.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.44 72.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.769 -179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 23.3 p -69.84 -40.48 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.02 -42.12 99.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.418 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.88 -41.2 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.45 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.9 -40.51 93.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -63.86 -42.5 97.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.403 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -62.74 -44.62 95.75 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.923 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.96 -43.28 88.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.128 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 65.6 mt -64.08 -40.36 96.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.618 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.81 -45.01 95.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.799 0.333 . . . . 0.0 110.407 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.1 t -62.62 -41.11 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 93.0 t80 -58.45 -46.9 85.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.164 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.13 -48.52 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1124 ' ' TRP . . . . . . . . . . . . . 80.9 t90 -61.04 -45.44 94.79 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.142 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -62.27 -38.73 90.44 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.6 m -62.08 -40.54 96.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -65.76 -44.86 84.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.937 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -70.77 -39.58 73.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.6 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.92 -40.78 68.53 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.447 0.642 . . . . 0.0 110.212 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -136.23 145.76 46.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.567 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.164 179.707 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.27 -42.03 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.122 0.486 . . . . 0.0 110.53 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.72 -38.78 89.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.248 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.26 -41.95 98.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.258 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.13 -42.38 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.51 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.534 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.53 -43.98 97.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.73 91.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.323 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.47 -40.6 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.0 mt -103.5 25.79 9.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -149.62 -61.68 0.22 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.076 0.465 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.93 -3.71 85.28 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.02 77.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.58 157.81 89.11 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.983 0.42 . . . . 0.0 111.167 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -73.42 -20.79 20.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.41 2.074 . . . . 0.0 112.276 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.772 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.5 mtm . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.731 0.301 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 46.9 p -68.72 160.09 78.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -51.66 -42.68 55.28 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.256 1.971 . . . . 0.0 111.851 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.3 -40.75 86.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.627 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -63.36 -42.99 98.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.73 -40.17 96.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.036 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -61.74 -42.48 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.628 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.65 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.1 mtt -61.76 -42.12 98.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.0 t -62.98 -42.67 99.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.719 HD11 ' HB1' ' B' 1109 ' ' ALA . 24.0 mt . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.636 0.255 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 91.3 p -63.03 -17.82 62.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.908 0.385 . . . . 0.0 110.252 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -91.22 -7.6 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -86.93 133.31 33.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.012 0.434 . . . . 0.0 110.534 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.8 160.37 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.824 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.2 -47.13 82.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.969 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.58 94.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.661 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.425 HD13 ' HE1' ' B' 1114 ' ' PHE . 74.0 mt -64.93 -39.84 94.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.541 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -60.06 -47.31 86.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.969 0.414 . . . . 0.0 110.18 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 60.3 t0 -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.281 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.576 HG22 HD21 ' B' 1106 ' ' LEU . 95.0 m -60.66 -44.97 95.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.748 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.01 -46.74 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.96 -38.21 87.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 67.8 p -90.69 -1.88 57.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.497 ' OG ' HD22 ' B' 1106 ' ' LEU . 45.1 t -66.3 127.12 30.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.595 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -113.03 3.15 16.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.883 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -119.18 136.8 54.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.633 0.254 . . . . 0.0 110.471 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.511 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.1 tt -64.37 -36.26 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.246 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1105 ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' 1104 ' ' ILE . 98.4 mt-10 -62.05 -43.8 98.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.363 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.576 HD21 HG22 ' B' 1097 ' ' THR . 7.7 tt -65.4 -39.37 92.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.304 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' 1104 ' ' ILE . 70.1 mt -60.61 -43.23 97.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.826 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.73 88.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.719 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -62.2 -43.57 98.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.806 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.9 m -66.1 -40.23 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.166 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.6 -41.21 97.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.314 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.09 -42.1 97.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.593 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.81 -40.75 97.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.425 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.5 m-30 -63.38 -44.16 95.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.737 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -62.2 -46.96 86.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -63.58 -42.55 98.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.88 -42.4 97.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' 1062 ' ' MET . 74.8 mt -63.92 -40.2 95.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.769 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.0 tptt -61.23 -45.63 93.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.7 t -62.96 -40.97 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.034 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.497 ' CD1' HD11 ' A' ' 55' ' ' LEU . 90.8 t80 -59.13 -47.3 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.35 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 29.3 m80 -61.31 -42.66 99.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.849 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.8 t90 -60.71 -45.55 93.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.022 0.439 . . . . 0.0 110.538 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -61.31 -36.93 81.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.314 -0.978 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.066 179.569 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 121.013 0.435 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.59 -39.97 93.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.121 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.21 -39.75 93.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.04 -44.05 97.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.85 -44.33 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.83 -41.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.754 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' B' 1121 ' ' TYR . 89.6 mt -102.0 26.11 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.578 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -148.78 -61.36 0.24 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.014 0.435 . . . . 0.0 110.421 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.69 -3.36 80.78 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.4 22.1 76.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.32 159.13 86.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.898 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.87 -23.66 21.97 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.364 2.043 . . . . 0.0 112.25 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.883 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.818 -179.765 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.932 0.396 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.1 p -71.42 161.97 75.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.653 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.17 -43.35 53.85 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 121.973 1.782 . . . . 0.0 111.702 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.19 -40.92 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.515 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -64.34 -41.01 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.35 -40.77 98.21 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.408 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.78 -41.61 99.33 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.66 -41.95 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.72 -39.89 94.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.65 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.444 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -63.01 -41.81 99.65 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.51 -42.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.419 -179.38 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.663 ' HB3' HD21 ' B' 1094 ' ' LEU . 45.1 mt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.583 0.23 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -68.81 -10.75 58.53 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.261 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -98.34 -9.94 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.03 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -82.15 136.25 35.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.021 0.438 . . . . 0.0 110.914 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.66 160.06 14.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.952 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.8 t80 -57.15 -47.02 82.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.645 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.61 91.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.412 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.88 -43.3 96.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.5 mt -66.01 -39.54 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.2 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.15 -48.18 82.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.812 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1096 ' ' ASP . . . . . 0.418 ' O ' HG22 ' B' 1100 ' ' THR . 58.9 t0 -64.75 -39.71 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.07 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.619 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.2 m -60.34 -44.02 95.89 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.669 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.421 HG23 ' CD2' ' B' 1107 ' ' LEU . 94.9 mt -61.72 -47.31 93.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 0.0 111.036 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -62.28 -38.83 90.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1100 ' ' THR . . . . . 0.418 HG22 ' O ' ' B' 1096 ' ' ASP . 9.7 t -90.66 -0.79 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.528 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.71 ' OG ' HD21 ' B' 1107 ' ' LEU . 80.4 p -62.86 152.41 36.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.234 0.54 . . . . 0.0 110.796 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 19.5 p -129.72 -4.69 4.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.05 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -126.21 140.99 52.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.124 0.488 . . . . 0.0 111.272 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.429 ' HA ' HD12 ' B' 1107 ' ' LEU . 48.1 pt -68.52 -25.44 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.02 -46.31 88.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.619 HD21 ' CG2' ' B' 1097 ' ' THR . 56.4 tp -66.5 -41.38 88.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.976 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.71 HD21 ' OG ' ' B' 1101 ' ' SER . 78.4 mt -60.13 -42.12 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.663 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.33 88.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.295 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.109 0.481 . . . . 0.0 110.945 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' B' 1086 ' ' LEU . 84.7 m -67.65 -40.6 84.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.45 -44.02 97.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.085 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.64 -39.97 92.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.347 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.56 -40.4 96.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.096 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.99 -40.68 98.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 61.4 m170 -63.23 -42.67 99.27 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.705 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.8 -43.43 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.552 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -63.3 -41.96 99.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.444 HD11 ' HB3' ' B' 1062 ' ' MET . 76.5 mt -64.91 -41.44 95.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.317 . . . . 0.0 110.73 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -62.84 -42.99 99.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.4 t -63.9 -42.48 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.932 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.511 ' CG ' HD11 ' A' ' 55' ' ' LEU . 85.1 t80 -59.29 -48.11 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.41 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.64 -46.4 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.06 96.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.0 t90 -59.89 -46.01 90.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 120.727 0.299 . . . . 0.0 110.4 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -61.98 -37.38 84.6 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.102 0.477 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.44 95.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.489 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.05 -43.35 99.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.45 -40.43 97.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.08 -43.02 99.75 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.513 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.684 HD11 ' HA3' ' A' ' 61' ' ' GLY . 83.2 mt -60.17 -42.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.649 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' B' 1121 ' ' TYR . 88.9 mt -98.13 19.15 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.987 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -144.4 -62.21 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.754 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.99 -6.99 88.46 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.67 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.85 79.39 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.05 159.45 83.99 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.674 0.273 . . . . 0.0 111.072 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.9 Cg_endo -72.43 -20.72 23.6 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.311 2.007 . . . . 0.0 112.291 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.684 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 16.4 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.0 p -71.11 162.33 73.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.16 -41.37 65.63 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.285 1.99 . . . . 0.0 111.639 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.33 -40.7 85.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.03 -41.51 99.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.429 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.25 99.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.79 -41.08 97.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.552 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.8 mtt -62.8 -41.81 99.44 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.623 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.6 m -63.7 -40.82 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.62 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' B' 1109 ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.627 0.251 . . . . 0.0 110.698 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -61.11 -17.96 55.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.632 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.27 -12.64 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -72.56 134.88 45.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.62 160.42 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.841 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.82 -46.51 81.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.724 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.76 93.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -63.21 -43.43 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.663 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.471 HD11 ' CD ' ' B' 1113 ' ' GLU . 64.5 mt -64.88 -38.35 90.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.367 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.16 -47.72 82.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.203 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.4 t0 -64.82 -39.39 93.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.878 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.743 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.21 -42.45 95.16 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.71 -47.31 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -62.47 -37.49 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 70.6 p -89.92 -1.78 58.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.963 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.1 t -66.39 128.64 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 120.992 0.425 . . . . 0.0 110.377 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 79.2 m -123.71 22.0 9.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.64 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -148.39 151.97 36.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.635 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.18 -27.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.983 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.31 -46.24 87.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.534 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.743 HD21 ' CG2' ' B' 1097 ' ' THR . 50.1 tp -67.17 -40.24 86.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.5 -40.45 94.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.759 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.79 70.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -64.41 -48.59 74.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.478 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 12.7 p -71.42 -41.13 69.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.72 -42.24 98.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.342 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.92 -43.29 96.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.168 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1113 ' ' GLU . . . . . 0.471 ' CD ' HD11 ' B' 1094 ' ' LEU . 88.3 tt0 -62.03 -41.59 98.26 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.448 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.7 m-30 -60.39 -44.23 95.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.521 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.12 -46.98 88.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.73 -41.51 95.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.53 -42.04 98.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1062 ' ' MET . 77.2 mt -63.06 -40.57 98.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.642 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 18.7 tptm -61.74 -44.69 96.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.89 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.201 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.552 ' HB2' HD21 ' A' ' 55' ' ' LEU . 90.1 t80 -59.21 -47.56 84.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.452 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 53.1 m170 -62.57 -41.65 99.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.401 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.32 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.785 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 68.7 t90 -60.51 -46.0 91.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.808 0.337 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.68 -39.11 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.214 179.739 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.64 -39.92 93.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.01 -40.7 98.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 0.0 110.539 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.47 -40.57 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.49 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.02 91.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.322 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.3 -41.11 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.7 mt -101.67 26.45 7.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -150.94 -62.97 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.209 0.528 . . . . 0.0 110.854 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.9 -4.93 88.34 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.54 21.8 76.32 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.97 156.69 86.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.128 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -75.46 -20.85 15.6 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.461 2.107 . . . . 0.0 112.273 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.9 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1053 ' ' MET . . . . . 0.419 ' HE1' ' HG3' ' B' 1061 ' ' GLU . 23.5 mtm . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.8 p -70.57 161.08 79.13 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.98 -42.32 59.07 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.294 1.996 . . . . 0.0 111.928 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -40.52 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.381 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.72 -41.06 98.14 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.4 mtm -63.27 -40.85 98.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.258 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.6 -41.84 99.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.732 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.67 -41.2 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1061 ' ' GLU . . . . . 0.419 ' HG3' ' HE1' ' B' 1053 ' ' MET . 79.4 mm-40 -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.49 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.97 -42.88 99.62 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.355 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 74.6 m -63.78 -41.3 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.258 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.626 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.3 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.507 0.194 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.9 p -68.0 -12.37 60.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.3 . . . . 0.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -98.06 -8.79 27.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -81.04 137.5 36.03 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.145 0.498 . . . . 0.0 110.706 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.67 161.91 14.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.751 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.99 -46.87 81.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.66 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.66 93.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.84 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.9 mt -64.61 -39.32 93.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.438 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -59.56 -48.1 82.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.847 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.64 -39.03 93.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.958 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.723 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.8 m -59.9 -44.06 94.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.307 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.2 -48.26 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.57 -38.15 88.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 79.8 p -89.6 -1.2 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.72 ' OG ' HD21 ' B' 1107 ' ' LEU . 62.7 p -57.3 129.99 44.25 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 110.594 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 -2.88 12.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.475 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -131.36 142.88 50.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.407 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.8 pt -67.44 -26.77 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.96 -44.97 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.723 HD21 ' CG2' ' B' 1097 ' ' THR . 50.8 tp -65.6 -41.48 92.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.861 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.72 HD21 ' OG ' ' B' 1101 ' ' SER . 55.7 mt -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.906 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.39 89.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.65 93.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.446 ' SG ' HD13 ' B' 1086 ' ' LEU . 88.2 m -66.96 -40.59 87.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.499 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.54 -43.58 98.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.15 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.29 -40.19 89.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.46 -41.17 98.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.123 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.469 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.82 -42.97 97.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.495 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.22 -43.98 96.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.81 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -66.31 -42.09 88.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -64.25 -42.39 96.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' 1059 ' ' ALA . 76.7 mt -63.68 -40.01 95.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.476 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.82 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.5 t -61.86 -41.85 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.87 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.32 -46.85 87.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.68 -47.08 87.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.42 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 77.7 t90 -60.65 -46.44 90.29 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.856 0.36 . . . . 0.0 110.361 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -62.79 -38.6 91.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.95 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.993 -179.358 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -61.45 -39.84 92.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.47 -40.68 97.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.5 -42.57 99.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.38 -40.15 96.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.19 -43.33 99.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.516 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.02 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 0.0 110.275 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 51' ' ' ALA . 89.2 mt -59.46 -41.89 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -100.98 23.61 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.682 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -144.77 -61.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.0 -2.89 74.06 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.35 22.09 76.18 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 159.2 84.16 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.425 0.155 . . . . 0.0 111.215 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.65 -38.7 59.49 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.196 1.931 . . . . 0.0 112.32 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.946 -1.475 . . . . 0.0 110.892 -179.479 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.9 mtm . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.2 p -70.34 160.9 79.43 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.23 -42.67 46.38 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.179 1.92 . . . . 0.0 111.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.31 -40.7 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -62.44 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.26 -40.33 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.984 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.443 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.92 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.47 -42.11 98.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.704 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.49 -40.73 97.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.497 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.9 mtt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -61.37 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.456 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.042 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.615 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.9 mt . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.669 0.271 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 90.8 p -61.82 -17.03 54.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.94 0.4 . . . . 0.0 110.339 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -89.22 -10.65 46.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.8 m95 -85.74 130.81 34.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.69 159.81 15.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.824 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.55 -47.89 80.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.87 95.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.699 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.85 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.93 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' 1086 ' ' LEU . 76.1 mt -64.77 -39.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.149 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.27 -47.77 84.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.873 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.0 -39.83 95.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.714 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.5 m -61.78 -43.85 98.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.719 HD13 HH12 ' B' 1111 ' ' ARG . 92.3 mt -61.46 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -61.34 -39.29 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.3 t -90.37 -2.95 58.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.464 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -65.37 134.09 52.78 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.025 0.441 . . . . 0.0 110.562 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.9 m -115.36 -5.45 12.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.389 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -114.9 143.88 44.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.856 0.36 . . . . 0.0 110.669 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.403 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.8 pt -69.59 -27.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.04 -45.05 90.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.107 0.48 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.714 HD21 ' CG2' ' B' 1097 ' ' THR . 52.8 tp -66.52 -40.57 89.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.142 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' 1101 ' ' SER . 84.9 mt -60.62 -44.58 96.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.546 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.66 81.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.54 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.56 98.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.669 ' HB3' HD11 ' B' 1098 ' ' ILE . 84.0 m -67.22 -40.0 86.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1111 ' ' ARG . . . . . 0.719 HH12 HD13 ' B' 1098 ' ' ILE . 87.8 mmt-85 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.316 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.0 -41.08 95.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.56 -42.52 96.77 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.528 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -65.77 -38.55 89.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.418 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -61.37 -46.55 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.34 -42.36 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.49 -41.49 96.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.498 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' 1062 ' ' MET . 66.1 mt -64.3 -40.11 95.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.49 -44.75 96.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.5 t -62.9 -41.94 94.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.1 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.93 -46.91 86.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.35 -46.86 87.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.36 98.67 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.015 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 79.9 t90 -60.97 -46.15 91.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -62.73 -36.57 83.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.325 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.311 -1.081 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.081 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.021 0.439 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -62.33 -38.35 89.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.206 0.527 . . . . 0.0 109.643 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.61 -40.81 97.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -42.49 99.58 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.463 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.53 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.605 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.05 -42.85 99.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.692 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.03 93.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.108 0.48 . . . . 0.0 110.425 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.15 -41.73 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.2 23.29 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.714 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -147.44 -62.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.148 0.499 . . . . 0.0 110.873 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.38 -5.93 86.56 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.17 19.31 77.24 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.08 159.47 85.11 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.047 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.1 Cg_endo -71.46 -21.6 25.9 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.279 1.986 . . . . 0.0 112.194 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 117.895 -1.503 . . . . 0.0 110.95 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp . . . . . 0 C--O 1.224 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.5 p -73.2 161.61 78.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.213 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.09 -42.7 51.99 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.09 1.86 . . . . 0.0 111.858 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.46 -41.14 85.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.87 -42.39 99.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.1 -42.18 99.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.516 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.54 -42.36 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.236 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -41.89 98.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.56 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 72.5 mtm -65.3 -39.29 92.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.3 m -62.05 -40.72 96.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.322 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.654 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.695 ' HB3' HD21 ' B' 1094 ' ' LEU . 46.8 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.556 0.217 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.3 p -69.84 -10.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.327 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -98.42 -1.94 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -90.51 134.74 34.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.749 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 161.62 11.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -56.62 -47.45 79.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.93 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.95 95.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.486 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.971 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.695 HD21 ' HB3' ' B' 1086 ' ' LEU . 54.4 mt -66.05 -39.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.757 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -48.92 79.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.066 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.32 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.26 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.44 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.0 m -60.55 -44.62 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.463 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 111.002 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -61.51 -38.71 88.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.38 -2.24 57.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.626 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.4 t -65.11 137.1 57.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.97 0.414 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.2 p -118.1 -3.77 11.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.521 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.69 138.65 51.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.62 -27.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.94 -45.39 89.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.189 0.518 . . . . 0.0 110.518 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.44 HD21 ' CG2' ' B' 1097 ' ' THR . 47.1 tp -65.79 -40.42 91.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1101 ' ' SER . 85.9 mt -61.03 -41.78 97.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.676 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.59 87.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.342 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.47 98.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.2 m -67.14 -40.32 86.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.66 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -61.52 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.16 -40.73 94.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.22 -39.91 95.97 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.245 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.45 ' HE1' HD13 ' B' 1094 ' ' LEU . 5.0 m-30 -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.951 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -60.91 -48.89 79.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.94 -44.32 96.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.79 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.516 HD21 ' HA ' ' B' 1059 ' ' ALA . 77.9 mt -64.12 -40.45 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.43 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -61.41 -46.7 89.02 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.339 . . . . 0.0 110.438 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 59.8 t -62.27 -40.52 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.568 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.7 t80 -58.74 -48.2 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.19 -45.94 92.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.11 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.82 90.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.2 t90 -60.95 -45.9 92.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.463 0.649 . . . . 0.0 110.217 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.05 -35.49 77.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.26 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--N 1.316 -0.873 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.577 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.081 0.467 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.54 -39.79 92.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.66 -40.75 98.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.4 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.14 -40.26 97.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.26 -44.57 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.19 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.71 -40.43 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.568 HD11 ' CG ' ' B' 1121 ' ' TYR . 81.9 mt -103.59 26.87 7.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.511 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.92 -62.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.045 0.45 . . . . 0.0 110.456 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.5 -6.1 87.83 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.329 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.44 20.65 78.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.95 159.83 82.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.331 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -70.68 -25.09 24.74 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.352 2.034 . . . . 0.0 112.094 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.797 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 19.3 mtm . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.75 0.31 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 32.2 p -69.97 162.63 67.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.406 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.75 -41.9 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.195 1.93 . . . . 0.0 111.709 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.65 -40.49 92.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.206 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -63.81 -41.3 97.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.9 -41.21 99.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.81 97.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -62.54 -41.36 98.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.905 0.383 . . . . 0.0 110.462 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 55' ' ' LEU . 27.5 mtt -63.55 -40.74 97.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.523 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 73.5 m -63.35 -40.42 97.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.668 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.861 -179.724 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.439 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.2 mt . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 93.7 p -69.6 -11.02 60.5 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.447 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -94.0 -11.07 31.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -81.02 138.39 36.03 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.0 158.07 23.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.61 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -55.69 -46.53 77.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.807 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.26 94.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.22 -43.57 97.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.854 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' 1086 ' ' LEU . 71.4 mt -64.1 -39.85 94.95 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.466 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -59.84 -47.93 83.73 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.255 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.19 -39.11 92.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -44.41 97.45 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.41 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.0 -46.99 95.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.79 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -62.28 -38.08 87.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.4 p -90.14 -2.33 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.54 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.9 t -71.76 128.92 37.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.089 0.471 . . . . 0.0 110.37 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 13.7 p -109.51 -4.66 16.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.606 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.45 138.6 48.97 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.95 0.405 . . . . 0.0 110.655 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.455 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.3 pt -69.43 -27.73 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.08 -45.62 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.51 -40.2 92.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.54 HD21 ' HB3' ' B' 1101 ' ' SER . 82.3 mt -60.72 -42.49 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.798 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.92 88.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.448 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.69 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.87 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.7 m -66.32 -40.59 90.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.599 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.61 -42.33 98.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.98 -40.95 95.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.41 -40.96 92.85 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.131 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -62.89 -43.21 99.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -62.5 -44.79 95.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.836 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -64.69 -41.87 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -64.39 -41.98 96.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.78 -41.0 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.56 -45.81 92.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 78.8 t -63.66 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.502 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.9 t80 -58.59 -47.72 83.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.047 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.5 -46.19 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.442 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.45 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.475 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.72 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 72.3 t90 -60.77 -45.02 95.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.243 0.544 . . . . 0.0 110.874 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.44 -39.48 83.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.596 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.995 0.426 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.43 -42.15 98.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.571 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.61 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.72 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.343 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.32 -44.08 97.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.35 93.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.395 . . . . 0.0 110.326 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.94 -41.48 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' B' 1121 ' ' TYR . 84.9 mt -101.65 28.13 5.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -150.71 -61.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.153 0.501 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.71 -2.54 75.55 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.44 21.13 75.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.81 160.28 83.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.905 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.57 -25.24 21.21 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.529 2.153 . . . . 0.0 112.432 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.842 -179.758 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.9 mtm . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.937 0.398 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.9 p -71.59 162.13 74.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.991 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.47 -43.16 56.66 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.187 1.925 . . . . 0.0 111.832 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.81 -41.19 87.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -63.55 -42.48 98.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.306 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.99 -40.48 96.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.19 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.426 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.31 -41.89 98.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.516 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.07 -39.58 94.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.574 ' HB3' HD11 ' B' 1118 ' ' LEU . 32.3 mtt -61.32 -42.73 99.15 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.549 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.722 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.609 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.2 mt . . . . . 0 CA--C 1.524 -0.05 0 CA-C-O 120.722 0.296 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.2 p -61.3 -18.1 56.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -86.19 -13.52 46.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.5 m95 -81.45 133.46 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.71 159.44 13.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.76 -48.27 80.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.824 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.69 94.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.26 -43.07 99.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' 1086 ' ' LEU . 72.6 mt -64.25 -39.66 94.4 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -59.6 -47.19 86.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.831 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.49 -40.23 95.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.214 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.52 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.3 -44.13 95.67 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.8 mt -60.23 -46.6 94.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.4 -36.81 83.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.5 p -89.64 -1.95 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.658 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.498 ' HB2' HD21 ' B' 1107 ' ' LEU . 66.2 m -61.15 130.18 45.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.916 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.5 m -113.58 -2.85 13.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.605 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -127.55 151.4 48.93 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.6 pt -69.56 -28.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.17 -44.94 90.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.091 0.472 . . . . 0.0 110.48 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.52 HD21 ' CG2' ' B' 1097 ' ' THR . 51.5 tp -66.11 -40.53 90.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.012 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' 1101 ' ' SER . 76.5 mt -61.25 -42.63 98.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.66 -31.45 71.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.377 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.87 88.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.978 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.445 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.4 m -69.6 -40.18 76.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.539 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.975 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.37 -43.21 95.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.88 -41.3 97.78 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.34 -43.46 98.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.14 -47.58 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -63.8 -41.7 97.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -63.1 -41.55 99.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.763 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' 1062 ' ' MET . 73.5 mt -62.33 -39.81 94.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.263 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 16.8 tptm -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.611 ' HB2' HD21 ' A' ' 55' ' ' LEU . 75.5 t80 -58.29 -48.3 80.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.356 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.79 -45.15 95.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.194 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.82 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 64.5 t90 -61.31 -46.1 91.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.296 0.569 . . . . 0.0 110.414 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.82 -36.39 78.93 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.021 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.865 179.587 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.23 -39.51 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.53 -42.93 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.55 -39.99 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.35 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.39 -44.67 96.74 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.739 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.63 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.942 0.401 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.1 -41.28 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.946 0.403 . . . . 0.0 110.624 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' B' 1121 ' ' TYR . 86.8 mt -101.57 26.07 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -150.31 -62.08 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.017 0.437 . . . . 0.0 110.351 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -4.55 86.41 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.3 21.45 77.3 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.24 159.35 83.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 111.009 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.2 Cg_endo -72.98 -21.46 20.78 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 118.049 -1.417 . . . . 0.0 110.604 -179.813 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1053 ' ' MET . . . . . 0.401 ' HB3' ' HE2' ' B' 1053 ' ' MET . 72.4 mtp . . . . . 0 C--O 1.223 -0.299 0 CA-C-O 120.541 0.21 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 81.9 p -71.28 157.64 89.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.042 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.4 -42.21 49.01 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.196 1.931 . . . . 0.0 111.799 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.44 -41.31 89.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.741 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -63.74 -41.87 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.46 -40.83 98.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.875 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.96 99.06 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -42.04 98.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.777 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.92 -39.92 94.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.415 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.667 ' HB3' HD11 ' B' 1118 ' ' LEU . 31.7 mtt -61.58 -42.86 99.46 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.1 t -62.76 -43.39 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 0.0 110.505 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.144 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' 1094 ' ' LEU . 62.0 mt . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.737 0.303 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.0 p -68.46 -14.2 62.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.353 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -108.34 12.32 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.86 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m0 -97.52 133.55 41.94 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 121.054 0.454 . . . . 0.0 111.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.13 162.17 9.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.26 -46.44 83.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.893 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.86 93.97 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.24 -42.36 99.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.075 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.555 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.4 mt -64.35 -39.48 93.97 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.372 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 -49.54 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -38.74 91.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.081 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.585 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -60.63 -45.54 93.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.693 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.23 -47.97 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.691 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -62.36 -38.24 88.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 80.5 p -88.48 -1.65 58.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.708 ' OG ' HD21 ' B' 1107 ' ' LEU . 64.0 p -56.64 131.47 49.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.22 0.533 . . . . 0.0 110.821 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 71.1 m -115.65 -4.46 12.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.291 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -130.18 143.77 50.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.939 0.4 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.463 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -67.0 -27.43 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.6 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.74 -44.23 94.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.182 0.515 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.585 HD21 ' CG2' ' B' 1097 ' ' THR . 50.0 tp -65.51 -41.63 92.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.708 HD21 ' OG ' ' B' 1101 ' ' SER . 48.3 mt -60.6 -42.47 96.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.141 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.68 87.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.976 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.15 97.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.858 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.0 m -64.73 -41.91 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.406 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -61.66 -43.56 98.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.342 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.1 -42.65 96.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -62.68 -41.6 99.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.526 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.499 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -62.45 -45.02 94.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.63 -47.36 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.821 0.344 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -63.67 -42.89 98.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.763 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.05 -41.3 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.126 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.667 HD11 ' HB3' ' B' 1062 ' ' MET . 68.9 mt -63.16 -40.89 98.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.406 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.6 -41.69 98.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.9 t -64.47 -41.16 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.53 ' HB2' HD21 ' A' ' 55' ' ' LEU . 74.4 t80 -59.12 -48.31 82.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.415 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.21 93.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.774 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.679 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.7 t90 -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 120.699 0.285 . . . . 0.0 110.46 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.623 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.318 -0.786 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.055 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 121.016 0.436 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.04 -39.04 90.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.045 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -39.93 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.623 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.3 -41.37 86.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.468 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.8 mt -98.5 22.35 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.135 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -150.23 -60.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.141 0.496 . . . . 0.0 110.95 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.86 -7.82 87.5 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 19.39 77.69 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.11 159.36 85.64 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-O 120.645 0.26 . . . . 0.0 110.759 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 70.2 Cg_endo -74.96 -18.16 19.07 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.383 2.056 . . . . 0.0 112.261 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.868 -179.832 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.6 p -69.23 162.09 68.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.189 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.18 -42.67 52.63 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.357 2.038 . . . . 0.0 111.888 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.06 -41.16 86.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.362 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.72 -43.16 99.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.7 mtm -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.438 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -65.53 -43.33 90.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.33 -41.17 96.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -45.64 93.2 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.653 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.76 -39.8 94.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.503 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -62.65 -41.5 99.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.657 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.658 ' HB3' HD21 ' B' 1094 ' ' LEU . 56.2 mt . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.556 0.217 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.1 p -64.24 -17.3 63.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -94.98 -10.91 29.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 10.9 m0 -77.43 134.74 38.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.48 159.06 16.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 48.8 t80 -56.87 -47.2 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.95 94.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.67 -44.43 93.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.658 HD21 ' HB3' ' B' 1086 ' ' LEU . 63.9 mt -65.04 -39.48 93.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.444 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.27 -47.28 86.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.068 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.61 -38.7 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.154 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.417 ' CG2' HD21 ' B' 1106 ' ' LEU . 96.4 m -61.73 -44.68 96.45 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.626 HD11 ' HB3' ' B' 1110 ' ' CYS . 90.9 mt -62.02 -45.16 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.976 0.417 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.54 -38.24 86.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.0 p -92.51 -1.78 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.425 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.1 t -68.4 128.28 36.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.518 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 17.3 p -113.38 0.28 14.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.756 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -114.94 136.91 52.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.662 0.268 . . . . 0.0 110.296 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.427 ' HA ' HD12 ' B' 1107 ' ' LEU . 16.7 tt -64.32 -34.88 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.417 HD21 ' CG2' ' B' 1097 ' ' THR . 56.9 tp -64.93 -40.78 95.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.429 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' 1104 ' ' ILE . 76.5 mt -61.13 -42.49 98.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.689 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.13 79.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.349 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.533 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.46 -43.76 96.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.626 ' HB3' HD11 ' B' 1098 ' ' ILE . 85.7 m -67.25 -40.33 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.46 -42.15 99.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.8 -41.35 95.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.23 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -40.08 94.32 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.338 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -65.39 -40.07 93.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.9 m80 -61.32 -44.32 97.39 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.604 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.74 -41.89 87.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -64.74 -41.14 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.242 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.438 HD21 ' HA ' ' B' 1059 ' ' ALA . 61.3 mt -63.52 -41.01 98.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 45.9 tttp -62.22 -45.07 94.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.635 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.1 t -61.65 -42.22 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 110.059 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.475 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 92.1 t80 -59.18 -46.99 86.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.81 -46.34 89.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.235 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.23 99.23 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.9 t90 -61.29 -45.34 94.89 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1125 ' ' LYS . . . . . 0.409 ' HE2' ' HH ' ' B' 1121 ' ' TYR . 14.3 mmmt -61.87 -40.58 95.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.45 -38.84 88.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.94 -42.61 99.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.28 -40.43 97.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.324 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.57 -43.75 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.73 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.409 . . . . 0.0 110.653 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.9 -41.07 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.831 0.348 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' 1121 ' ' TYR . 77.2 mt -103.21 27.57 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -149.74 -62.16 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 110.445 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.54 -3.83 80.73 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.21 20.1 74.7 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.18 158.79 83.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.192 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.13 -38.52 66.47 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.558 2.172 . . . . 0.0 112.32 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 CA-C-O 117.948 -1.473 . . . . 0.0 110.965 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 21.6 mtm . . . . . 0 C--O 1.227 -0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.4 p -70.69 157.9 89.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.223 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.07 -40.44 41.37 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.281 1.987 . . . . 0.0 111.886 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -41.28 95.79 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.444 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -64.61 -40.87 96.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.4 mtm -63.89 -40.33 96.25 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.187 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.414 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.439 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.96 -41.8 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.363 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.05 -39.72 94.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.433 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.6 mtt -61.51 -42.38 98.72 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.551 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -61.64 -45.33 94.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.319 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.55 ' HB3' HD21 ' B' 1094 ' ' LEU . 44.0 mt . . . . . 0 C--O 1.227 -0.111 0 CA-C-O 120.316 0.103 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 84.9 p -60.7 -20.9 62.18 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -99.5 -1.73 37.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.3 m0 -81.1 139.01 35.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.117 0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -63.5 160.28 16.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.55 -46.59 83.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.75 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.97 -42.53 99.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.55 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.6 mt -64.81 -39.1 93.03 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.489 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -58.88 -49.46 77.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 109.829 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.4 -38.64 91.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.598 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.1 m -60.61 -43.9 96.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.457 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.86 -46.66 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.005 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.74 -38.54 88.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 81.7 p -89.91 -1.68 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.413 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 42.1 t -72.49 123.71 23.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.758 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.3 m -113.06 -2.71 14.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.45 ' HA ' HD12 ' B' 1107 ' ' LEU . 43.4 pt -68.9 -28.0 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.09 -44.48 92.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.103 0.478 . . . . 0.0 110.632 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.598 HD21 ' CG2' ' B' 1097 ' ' THR . 52.3 tp -67.12 -40.4 86.83 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.08 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.45 HD12 ' HA ' ' B' 1104 ' ' ILE . 87.1 mt -60.32 -42.55 95.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.285 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.268 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.45 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.54 -47.96 81.61 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.065 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 27.2 p -72.18 -34.82 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.547 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -60.97 -47.18 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.374 0.607 . . . . 0.0 110.289 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.58 -40.72 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.39 -41.43 93.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.026 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.422 ' HE1' HD13 ' B' 1094 ' ' LEU . 2.7 m-85 -61.07 -44.63 97.09 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.586 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.88 -42.79 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.28 -42.03 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -64.34 -42.77 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.414 HD21 ' HA ' ' B' 1059 ' ' ALA . 81.6 mt -64.33 -39.64 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.335 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.06 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.0 t -62.25 -42.4 95.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.953 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 71.2 t80 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -46.83 88.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.365 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.661 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.2 t90 -59.66 -46.16 89.87 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 120.843 0.354 . . . . 0.0 110.395 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -56.83 -44.54 82.15 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.631 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.313 -0.995 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.613 179.637 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.28 -39.6 93.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.31 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.54 -42.86 99.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.661 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.06 -39.59 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.452 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.533 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.43 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.62 -42.35 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -98.89 21.42 11.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.998 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.34 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.64 -5.78 81.21 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.53 21.1 76.06 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.78 151.33 91.06 Favored Pre-proline 0 C--N 1.332 -0.189 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.933 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.99 53.37 4.0 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.223 1.949 . . . . 0.0 111.77 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 117.964 -1.465 . . . . 0.0 110.92 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.1 mtm . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 47.5 p -68.72 161.13 73.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.93 -40.85 74.54 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.45 2.1 . . . . 0.0 111.952 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.62 -41.8 87.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.89 -40.12 94.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.64 -41.14 98.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.026 0.441 . . . . 0.0 109.993 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.412 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.85 -40.78 97.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -41.24 97.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.0 -41.82 99.69 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 55' ' ' LEU . 33.7 mtt -64.06 -39.63 94.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -40.15 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.655 HD11 ' HB1' ' B' 1109 ' ' ALA . 35.2 mt . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 48.3 t -59.03 -29.99 67.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.161 0.505 . . . . 0.0 110.211 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -92.09 3.92 54.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.322 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.0 m95 -95.69 132.62 40.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -65.63 161.09 21.2 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 84.9 t80 -57.13 -46.11 82.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.72 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -43.41 98.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.613 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.504 HD13 ' HE1' ' B' 1114 ' ' PHE . 63.2 mt -62.75 -39.37 93.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.261 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -59.94 -48.79 80.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 110.507 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1096 ' ' ASP . . . . . 0.471 ' O ' HG22 ' B' 1100 ' ' THR . 97.9 m-20 -64.13 -38.59 91.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.212 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.3 m -61.61 -46.27 90.55 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.532 HD11 ' HB3' ' B' 1110 ' ' CYS . 97.1 mt -63.34 -48.71 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.013 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1100 ' ' THR . . . . . 0.471 HG22 ' O ' ' B' 1096 ' ' ASP . 3.6 t -89.61 -1.69 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.018 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.495 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -62.2 138.16 58.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.616 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 98.0 m -120.67 18.49 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 37.6 t0 -148.29 149.29 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -70.77 -27.55 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.694 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.16 -46.92 84.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.665 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 45.1 tp -66.41 -40.71 89.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.495 HD21 ' HB3' ' B' 1101 ' ' SER . 85.1 mt -60.95 -43.54 98.55 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.009 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.07 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.655 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -63.27 -44.14 95.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.126 0.488 . . . . 0.0 110.861 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.532 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.0 m -65.81 -40.12 91.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.017 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.52 -41.95 98.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.79 -40.32 88.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.09 -40.95 97.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.504 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.01 -44.64 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.605 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.28 -47.53 85.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.693 0.283 . . . . 0.0 110.63 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.72 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -64.06 -41.46 97.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' 1062 ' ' MET . 73.7 mt -63.89 -40.29 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.41 -45.99 91.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 70.7 t -61.98 -40.18 86.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.058 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.47 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 91.0 t80 -59.05 -47.12 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 56.8 m170 -61.31 -42.44 98.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.92 99.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.325 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.761 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -61.37 -45.51 94.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -62.53 -38.3 89.46 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.243 179.595 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.76 -39.68 92.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.245 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.9 -40.84 98.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.453 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.99 -42.21 98.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.023 0.44 . . . . 0.0 110.511 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -41.67 99.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.458 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.422 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.11 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.61 -41.06 86.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' B' 1062 ' ' MET . 97.4 mt -102.09 27.57 6.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.553 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -150.47 -61.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.105 0.479 . . . . 0.0 110.647 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 -3.32 81.07 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.6 75.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.94 158.12 88.27 Favored Pre-proline 0 N--CA 1.453 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.801 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.0 Cg_endo -71.72 -20.83 25.97 Favored 'Trans proline' 0 C--N 1.302 -1.895 0 C-N-CA 122.544 2.163 . . . . 0.0 112.356 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.029 -1.429 . . . . 0.0 110.749 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.7 mtm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.776 0.322 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 161.05 81.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.39 -43.36 50.07 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.562 2.174 . . . . 0.0 111.927 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.63 -41.27 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.33 -41.29 98.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.19 -41.72 99.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.435 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.97 -40.13 96.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.85 -42.67 99.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.19 -40.41 96.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.414 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.2 mtt -62.88 -41.69 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.446 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.88 -40.96 99.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.784 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.662 ' HB3' HD21 ' B' 1094 ' ' LEU . 64.5 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.612 0.244 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.5 p -64.0 -16.56 61.89 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -102.04 -12.22 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -73.73 135.54 43.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.796 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.35 160.31 19.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -57.44 -47.04 82.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.038 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.52 94.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.61 -42.83 98.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.412 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.6 mt -63.26 -39.57 94.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.546 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.48 -47.75 84.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.188 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.05 -38.68 91.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.173 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.668 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.0 m -61.46 -44.51 96.97 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.78 -46.84 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.04 -37.12 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 75.0 p -90.86 -1.52 57.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.494 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.7 t -72.33 125.58 27.71 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.037 0.446 . . . . 0.0 110.208 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 87.9 m -108.15 -3.39 18.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.8 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -113.66 141.38 47.29 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 110.573 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.402 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.6 pt -70.11 -26.64 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -47.23 81.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.456 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.668 HD21 ' CG2' ' B' 1097 ' ' THR . 51.6 tp -65.12 -40.84 95.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.255 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' B' 1101 ' ' SER . 81.1 mt -60.41 -42.0 95.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.873 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.56 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.209 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.417 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.57 -43.81 95.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.1 m -66.13 -40.49 90.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.33 -43.1 99.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.41 -40.04 85.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -62.82 -41.06 99.15 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.508 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.489 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.4 m-30 -63.48 -44.78 93.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.382 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.11 -47.32 85.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.618 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -62.78 -43.99 97.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -62.72 -41.97 99.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.435 HD21 ' HA ' ' B' 1059 ' ' ALA . 67.4 mt -63.31 -41.04 98.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.669 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.95 -44.67 96.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.395 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.1 t -62.08 -40.98 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.575 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.1 t80 -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.97 -48.43 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.56 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.623 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 66.6 t90 -58.34 -47.48 83.63 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.69 0.281 . . . . 0.0 110.34 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.115 179.632 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.936 0.398 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -62.07 -39.45 92.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.551 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.42 -42.69 99.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.52 -42.31 99.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.13 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.689 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.36 -45.06 95.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.04 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HA3' ' A' ' 61' ' ' GLY . 85.1 mt -60.59 -40.78 85.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' B' 1121 ' ' TYR . 81.4 mt -101.62 26.3 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -151.6 -63.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.235 0.54 . . . . 0.0 110.845 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.22 -6.29 88.91 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 20.07 76.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.9 158.74 85.54 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.043 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.2 Cg_endo -72.15 -23.63 21.08 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.483 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.93 -1.483 . . . . 0.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 74.5 mtp . . . . . 0 C--O 1.223 -0.324 0 CA-C-O 120.695 0.283 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.0 p -70.31 161.66 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.68 -42.05 58.56 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.018 1.812 . . . . 0.0 111.673 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.73 -40.59 88.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.9 -42.99 97.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.99 -39.7 94.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.8 -42.85 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.602 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.38 -38.14 89.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.492 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.641 ' HB3' HD11 ' B' 1118 ' ' LEU . 0.0 OUTLIER -60.65 -44.47 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 89.9 p -64.36 -37.81 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.213 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' 1094 ' ' LEU . 74.7 mt . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.603 0.239 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.7 p -63.89 -16.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 110.377 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -96.52 -8.67 31.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -80.81 135.16 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.31 161.59 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.21 -46.49 79.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.788 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.66 95.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.375 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.95 -43.22 96.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.0 mt -65.27 -39.37 92.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.814 0.34 . . . . 0.0 110.501 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -58.92 -49.46 77.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.813 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.68 -38.55 90.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.701 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.5 m -61.24 -42.96 99.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.406 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.699 HG23 HH12 ' B' 1111 ' ' ARG . 95.1 mt -60.15 -47.47 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -62.02 -38.61 89.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.0 p -89.0 -1.66 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.345 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 39.8 t -71.82 121.17 18.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.109 0.48 . . . . 0.0 110.765 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.8 m -113.98 -2.99 13.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.533 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -113.14 143.13 44.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.4 pt -67.61 -28.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.739 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -44.6 90.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.701 HD21 ' CG2' ' B' 1097 ' ' THR . 59.5 tp -67.16 -40.77 86.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.217 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.64 -42.26 96.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.367 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.7 86.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.064 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.502 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.16 -47.66 83.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.156 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 26.2 p -71.32 -35.75 71.35 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.643 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1111 ' ' ARG . . . . . 0.699 HH12 HG23 ' B' 1098 ' ' ILE . 4.6 mpt_? -63.83 -43.8 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.28 -42.93 99.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.253 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.07 -40.53 96.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.537 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -61.68 -44.18 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.786 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.93 -48.7 79.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.759 0.314 . . . . 0.0 111.007 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.96 -44.24 97.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -61.13 -42.14 98.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' 1062 ' ' MET . 76.1 mt -62.89 -41.13 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.327 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.53 -45.33 93.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -60.82 -42.7 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.927 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.429 ' HB2' HD21 ' A' ' 55' ' ' LEU . 84.2 t80 -59.37 -46.89 87.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.69 -47.21 86.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.4 98.84 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 84.8 t90 -61.33 -46.68 89.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.938 0.399 . . . . 0.0 110.409 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -61.75 -38.71 88.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.525 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.311 -1.08 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.033 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.016 0.436 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.81 -39.84 93.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -40.59 96.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.69 -42.25 99.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.85 -39.86 95.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.75 -43.95 97.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.73 -42.03 87.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' 1121 ' ' TYR . 83.9 mt -100.32 21.53 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.649 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -144.17 -62.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.081 0.467 . . . . 0.0 110.796 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.42 -3.3 84.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.537 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 20.62 77.29 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.86 159.9 84.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.806 0.336 . . . . 0.0 111.036 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.0 Cg_endo -72.28 -20.0 24.99 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.342 2.028 . . . . 0.0 112.139 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.864 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.3 mtm . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 49.6 p -68.61 162.22 64.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.24 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.63 -42.5 61.87 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.242 1.962 . . . . 0.0 111.948 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -68.46 -36.68 79.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -63.24 -42.86 99.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.185 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.27 -39.81 94.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.806 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.518 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.1 -40.06 94.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.728 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.38 -42.74 99.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.65 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.698 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.645 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.3 t -62.85 -43.07 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.483 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.8 mt . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.56 0.219 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 94.9 p -68.93 -11.48 60.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -94.35 -11.15 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.779 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -82.34 136.02 35.08 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.079 0.466 . . . . 0.0 110.7 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.8 158.39 21.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.637 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 66.6 t80 -56.35 -46.88 79.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.804 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.22 -43.26 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.679 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.8 mt -64.22 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.389 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.92 -47.65 84.92 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.131 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 64.5 t0 -65.03 -39.76 93.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.172 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.517 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.5 m -60.01 -44.94 94.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.58 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.452 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.6 mt -61.73 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.12 -38.87 87.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.024 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.8 t -91.58 -2.38 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.233 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.57 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.3 t -67.6 134.6 51.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.466 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.1 m -114.65 -5.04 12.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.574 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.68 140.28 48.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.448 ' HA ' HD12 ' B' 1107 ' ' LEU . 47.2 pt -69.43 -26.96 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.692 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.44 -46.45 86.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.231 0.539 . . . . 0.0 110.599 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.517 HD21 ' CG2' ' B' 1097 ' ' THR . 48.5 tp -66.2 -39.88 89.96 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.059 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' 1101 ' ' SER . 85.2 mt -60.44 -42.73 96.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.853 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.75 88.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.278 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.74 96.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.452 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.9 m -66.64 -40.76 88.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.45 -42.2 99.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.06 -40.49 94.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.34 -42.58 91.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.272 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -64.72 -41.16 96.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.26 -47.93 83.89 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.305 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -64.79 -42.05 95.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.002 0.429 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -63.21 -40.71 98.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.736 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -62.95 -40.7 98.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.189 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.0 t -63.5 -41.72 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.0 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.261 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.47 -48.34 82.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.07 99.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.628 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.5 t90 -59.88 -44.66 94.07 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 122.066 -0.396 . . . . 0.0 110.536 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -58.59 -46.51 86.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.833 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--N 1.312 -1.046 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.515 -179.811 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.011 0.434 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.32 -40.12 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.27 -40.64 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.74 -42.81 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.67 -40.1 96.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.406 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.33 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.508 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.56 90.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.694 HD11 ' HA3' ' A' ' 61' ' ' GLY . 86.3 mt -59.48 -42.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.962 0.41 . . . . 0.0 110.744 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -101.52 26.48 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -147.67 -62.14 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.062 0.458 . . . . 0.0 110.526 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.01 -3.66 79.35 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.21 22.27 78.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.15 160.01 83.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.5 Cg_endo -72.39 -19.89 24.75 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.442 2.095 . . . . 0.0 112.43 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.694 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.008 -1.44 . . . . 0.0 110.76 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1053 ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' B' 1053 ' ' MET . 82.0 mtp . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 120.521 0.2 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 68.3 p -71.95 160.48 82.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.379 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.36 -44.35 43.9 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.259 1.973 . . . . 0.0 111.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1056 ' ' GLU . . . . . 0.42 ' CD ' ' HH ' ' B' 1121 ' ' TYR . 72.9 mm-40 -68.0 -39.33 83.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.4 -45.49 94.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -62.6 -40.22 96.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.955 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.44 -41.59 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.764 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.71 98.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.795 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.608 ' HB3' HD11 ' B' 1118 ' ' LEU . 37.6 mtt -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.335 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.694 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.96 -179.556 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' B' 1094 ' ' LEU . 69.1 mt . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.679 0.276 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.2 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.374 . . . . 0.0 110.598 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -89.67 -8.66 51.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.93 139.54 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.94 159.59 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.89 -47.9 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.835 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.98 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.765 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.64 -43.17 97.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' 1086 ' ' LEU . 55.4 mt -65.37 -39.55 92.42 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.672 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.97 -47.14 87.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.748 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.89 -39.6 93.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.077 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.7 m -59.93 -44.68 94.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.569 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.66 -46.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.31 -38.78 88.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.07 -3.1 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.608 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.6 t -65.96 135.95 55.41 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.919 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 83.9 m -116.09 -4.65 11.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.552 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -115.36 139.55 49.9 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.452 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -69.79 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.41 -46.19 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.22 -40.08 90.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.608 HD21 ' HB3' ' B' 1101 ' ' SER . 80.0 mt -60.68 -43.32 97.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.711 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.14 88.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.369 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.73 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.417 ' SG ' HD13 ' B' 1086 ' ' LEU . 90.7 m -65.93 -41.09 91.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -61.87 -44.34 97.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.8 -39.59 91.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.542 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.15 -39.18 93.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.009 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.503 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.18 -41.0 97.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.413 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.05 -47.03 87.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.098 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -60.84 -45.7 93.47 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.965 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -60.57 -42.57 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' B' 1062 ' ' MET . 78.7 mt -64.06 -39.63 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.37 -48.04 83.45 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.619 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 56.9 t -62.25 -40.92 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.019 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.537 ' CG ' HD11 ' A' ' 55' ' ' LEU . 81.9 t80 -58.32 -47.54 83.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.38 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.28 -45.79 92.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.176 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.29 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -60.31 -46.37 90.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.723 0.296 . . . . 0.0 110.332 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1125 ' ' LYS . . . . . 0.408 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 67.2 mmtt -61.89 -38.77 89.57 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.313 -0.98 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.758 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.989 0.424 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -61.58 -38.86 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.39 -44.03 97.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -41.94 98.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.596 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -40.0 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.13 -43.65 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.345 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.64 96.61 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.81 -41.59 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.62 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' B' 1121 ' ' TYR . 94.2 mt -102.15 27.93 6.25 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -156.91 -61.92 0.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.072 0.463 . . . . 0.0 110.438 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.34 -10.6 84.45 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.35 76.96 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.6 146.29 85.77 Favored Pre-proline 0 N--CA 1.455 -0.204 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.065 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -82.95 50.25 3.31 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.044 1.829 . . . . 0.0 112.204 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.799 179.776 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 14.1 mtm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 33.4 p -69.35 160.89 77.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.86 -42.39 57.97 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.26 1.973 . . . . 0.0 111.943 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.34 -42.23 88.43 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.836 0.351 . . . . 0.0 110.485 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.66 -42.53 98.07 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.26 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.376 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.423 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.43 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.99 -42.7 99.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.59 -40.33 96.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.621 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.49 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.7 mtt -62.74 -41.53 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.666 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 95.2 p -64.57 -38.3 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.744 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.569 ' HB3' HD21 ' B' 1094 ' ' LEU . 26.7 mt . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.702 0.287 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -67.06 -14.04 62.51 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.99 0.424 . . . . 0.0 110.423 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -94.37 -8.15 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.5 m0 -84.92 133.21 34.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.36 161.24 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.36 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.792 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.41 95.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.823 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.51 -44.01 95.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.569 HD21 ' HB3' ' B' 1086 ' ' LEU . 74.6 mt -64.51 -39.99 94.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.38 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.15 -48.25 82.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.071 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.26 -38.61 90.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.383 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.8 m -61.01 -44.91 96.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.634 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.6 mt -62.18 -46.37 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.39 -38.54 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.3 t -91.53 -3.56 56.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.443 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.5 t -65.07 134.25 53.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.546 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -117.26 2.5 12.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.65 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -119.7 135.79 54.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.436 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.9 tt -61.93 -34.99 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.25 -44.55 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.383 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.33 -40.91 96.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 110.212 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.443 HD21 ' HB3' ' B' 1101 ' ' SER . 74.0 mt -60.77 -42.75 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.825 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.69 79.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.282 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -62.17 -44.84 95.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.726 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.634 ' HB3' HD11 ' B' 1098 ' ' ILE . 94.8 m -68.82 -39.9 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.9 -42.97 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.25 -42.2 93.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.284 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -61.31 -41.23 96.66 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.76 -44.04 97.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.89 -47.84 84.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 0.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -63.16 -42.05 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.401 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -63.51 -41.44 98.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.73 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' 1062 ' ' MET . 69.6 mt -62.74 -40.11 96.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -60.66 -46.02 91.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.526 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 71.7 t -62.51 -40.74 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 55' ' ' LEU . 87.2 t80 -58.96 -48.07 82.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.372 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.73 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.64 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.713 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.6 t90 -60.61 -46.73 89.16 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.743 0.306 . . . . 0.0 110.476 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.21 -37.88 87.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.109 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -61.31 -39.65 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.92 -41.64 98.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.64 -42.57 99.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.531 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.41 -40.19 95.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.448 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.24 -44.24 97.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.96 92.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.67 -40.82 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.718 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' B' 1121 ' ' TYR . 94.6 mt -101.13 25.4 8.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -148.9 -63.26 0.23 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.461 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.86 -5.64 86.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.25 20.2 77.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.8 161.0 81.5 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.775 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.3 Cg_endo -72.18 -21.76 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.617 2.211 . . . . 0.0 112.206 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.816 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 44.4 p -72.75 160.92 81.66 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 -39.44 87.64 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.478 2.119 . . . . 0.0 111.929 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.78 -40.1 95.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.84 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.2 -41.58 99.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.146 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.452 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.8 -42.59 97.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.427 ' CE ' HD22 ' A' ' 55' ' ' LEU . 77.5 mtm -65.53 -40.04 92.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.673 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.49 -43.59 98.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.565 ' HB3' HD21 ' B' 1094 ' ' LEU . 76.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.594 0.235 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 97.7 p -65.53 -15.48 62.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -91.79 -10.88 38.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -83.17 134.96 34.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.998 0.428 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -63.47 160.78 15.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.684 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.3 -47.21 82.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.82 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.528 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.73 -43.1 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.565 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.5 mt -65.56 -39.29 91.52 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.273 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -59.57 -48.71 80.6 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.889 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.51 -38.68 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.988 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.2 m -60.12 -45.21 93.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.513 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.609 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.5 mt -62.08 -47.21 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.013 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -61.88 -39.22 91.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 5.6 t -89.86 -2.09 58.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.435 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.5 t -61.46 137.42 58.24 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 110.599 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 76.0 m -120.84 19.32 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 33.0 t0 -147.97 149.41 32.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.74 -28.1 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.73 -45.45 89.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 52.5 tp -67.48 -40.84 85.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.356 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' 1101 ' ' SER . 81.6 mt -60.59 -44.07 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.863 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.07 74.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.239 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -62.12 -44.14 97.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.745 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.609 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.0 m -68.59 -40.1 80.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.274 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.05 -40.38 94.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.44 -40.97 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.049 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.63 -40.74 92.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.796 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.4 -47.68 85.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.346 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -65.04 -42.35 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -63.79 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.452 HD21 ' HA ' ' B' 1059 ' ' ALA . 74.0 mt -63.9 -40.83 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -44.99 95.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.866 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.7 t -63.44 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.009 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.686 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.5 t80 -59.68 -47.4 85.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.954 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 61.0 m170 -63.15 -42.49 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.365 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.12 98.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.712 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.9 t90 -60.12 -45.57 92.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.777 0.323 . . . . 0.0 110.449 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1125 ' ' LYS . . . . . 0.447 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 70.6 mmtt -58.46 -40.22 82.05 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.354 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 C--N 1.315 -0.919 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.26 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.055 0.455 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -62.91 -39.5 94.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.066 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.41 -40.55 96.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.33 -42.74 98.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.36 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.43 97.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -61.5 -44.26 97.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.79 90.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.046 0.45 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.439 HG21 ' HA ' ' B' 1121 ' ' TYR . 82.8 mt -59.47 -42.25 87.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' B' 1121 ' ' TYR . 85.5 mt -101.34 23.75 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.564 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -143.98 -61.42 0.39 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.147 0.499 . . . . 0.0 110.423 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.3 -3.41 75.53 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 21.16 77.45 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.94 159.06 86.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.675 0.274 . . . . 0.0 111.014 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.8 Cg_endo -70.89 -19.16 31.07 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.239 1.959 . . . . 0.0 112.256 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 117.951 -1.472 . . . . 0.0 110.834 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 6.8 mtp . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.624 0.25 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.9 p -68.25 161.14 71.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.446 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.97 -42.5 66.26 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.024 1.816 . . . . 0.0 111.693 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.48 -40.02 89.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -63.83 -42.38 97.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.576 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.35 -40.42 95.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.118 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.65 98.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.592 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.46 96.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1062 ' ' MET . . . . . 0.538 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -62.11 -42.72 99.51 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.593 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.2 t -63.21 -42.71 99.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.73 -179.613 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.593 ' HB3' HD21 ' B' 1094 ' ' LEU . 65.4 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.746 0.308 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 98.1 p -66.55 -14.66 62.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -93.12 -8.91 41.29 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.89 136.41 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 58.4 mttp -62.58 160.67 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -57.72 -47.98 80.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.669 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.81 94.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.741 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.4 -43.15 98.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.732 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.593 HD21 ' HB3' ' B' 1086 ' ' LEU . 65.1 mt -65.13 -39.5 93.12 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.16 -48.01 83.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.8 t0 -64.94 -39.56 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.519 ' CG2' HD21 ' B' 1106 ' ' LEU . 91.9 m -60.23 -45.37 93.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1098 ' ' ILE . . . . . 0.602 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.9 mt -61.97 -46.78 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -61.13 -38.8 87.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.0 t -91.25 -2.94 57.34 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.51 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.8 t -65.82 136.04 55.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.86 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 16.7 p -116.31 -8.15 11.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.39 139.54 44.22 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' B' 1107 ' ' LEU . 42.2 pt -69.64 -27.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.88 -45.4 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.213 0.53 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.519 HD21 ' CG2' ' B' 1097 ' ' THR . 47.0 tp -66.53 -40.11 88.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.244 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' 1101 ' ' SER . 78.8 mt -60.47 -43.02 97.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.01 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.47 87.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.184 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1110 ' ' CYS . . . . . 0.602 ' HB3' HD11 ' B' 1098 ' ' ILE . 89.6 m -65.28 -41.48 94.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -60.51 -45.51 93.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.359 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.13 -39.76 86.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.649 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.93 -39.96 96.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.182 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.426 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.71 -41.07 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.249 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 20.4 m170 -62.02 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.45 -45.28 91.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.346 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -63.33 -42.48 98.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.178 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.538 HD11 ' HB3' ' B' 1062 ' ' MET . 80.9 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.96 -45.15 95.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.923 0.392 . . . . 0.0 110.652 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.6 t -63.28 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.067 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.529 ' CD1' HD11 ' A' ' 55' ' ' LEU . 82.3 t80 -58.87 -48.58 80.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.31 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.65 -47.22 87.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.382 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.05 88.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.828 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 63.5 t90 -60.83 -45.74 93.3 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.285 0.564 . . . . 0.0 110.562 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.97 -40.08 87.86 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.282 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.054 0.454 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -62.03 -39.54 92.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.38 -39.73 95.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.5 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.94 -43.07 99.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.12 -39.74 94.7 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.546 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.02 -43.88 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.448 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.39 97.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.073 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.83 -42.54 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' 1121 ' ' TYR . 86.9 mt -100.48 27.22 5.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -155.69 -61.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.81 -8.7 87.63 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.51 78.01 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.33 158.42 85.36 Favored Pre-proline 0 C--O 1.225 -0.189 0 CA-C-O 120.908 0.385 . . . . 0.0 111.305 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.7 Cg_endo -72.77 -21.97 20.91 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.189 1.926 . . . . 0.0 112.297 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 118.002 -1.444 . . . . 0.0 110.745 -179.831 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.2 mtm . . . . . 0 CA--C 1.523 -0.082 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.3 p -70.52 161.01 79.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -40.47 81.91 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.269 1.979 . . . . 0.0 111.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.23 -42.35 88.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.95 -39.72 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 7.3 mtp -61.6 -42.01 98.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.97 0.414 . . . . 0.0 110.028 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1059 ' ' ALA . . . . . 0.53 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.7 -41.12 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.716 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.11 -41.26 98.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.409 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.73 -41.66 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.494 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -63.14 -40.79 98.59 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 70.9 m -63.29 -40.95 98.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.62 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1086 ' ' LEU . . . . . 0.676 ' HB3' HD21 ' B' 1094 ' ' LEU . 70.2 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.544 0.211 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 56.8 p -64.06 -20.24 65.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -103.88 -2.13 26.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.06 131.51 35.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.88 163.13 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.52 -46.3 83.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.856 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.11 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -42.87 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1094 ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' 1086 ' ' LEU . 68.0 mt -65.45 -37.97 88.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -59.24 -46.58 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.45 -38.33 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.954 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1097 ' ' THR . . . . . 0.678 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -61.33 -43.75 98.34 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.91 -47.31 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -62.76 -37.71 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.6 p -89.6 -1.28 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1101 ' ' SER . . . . . 0.668 ' OG ' HD21 ' B' 1107 ' ' LEU . 60.1 p -59.37 127.29 31.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.469 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.6 p -121.95 -7.73 8.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.357 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -122.93 150.78 42.5 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1104 ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' 1107 ' ' LEU . 41.7 pt -69.75 -28.66 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.07 -44.66 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.273 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1106 ' ' LEU . . . . . 0.678 HD21 ' CG2' ' B' 1097 ' ' THR . 59.2 tp -65.36 -41.01 94.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.45 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1107 ' ' LEU . . . . . 0.668 HD21 ' OG ' ' B' 1101 ' ' SER . 56.3 mt -60.68 -41.4 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.535 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.67 77.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1109 ' ' ALA . . . . . 0.517 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.91 -49.44 72.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.769 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 23.3 p -69.84 -40.48 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.02 -42.12 99.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.418 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.88 -41.2 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.45 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.9 -40.51 93.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1114 ' ' PHE . . . . . 0.413 ' HE2' HD13 ' B' 1094 ' ' LEU . 10.4 m-30 -63.86 -42.5 97.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 33.1 m80 -62.74 -44.62 95.75 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.923 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.96 -43.28 88.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1117 ' ' ARG . . . . . 0.418 ' HB3' HD23 ' A' ' 55' ' ' LEU . 89.8 mtt180 -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.128 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1118 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -64.08 -40.36 96.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.618 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.81 -45.01 95.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.799 0.333 . . . . 0.0 110.407 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.1 t -62.62 -41.11 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1121 ' ' TYR . . . . . 0.502 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 93.0 t80 -58.45 -46.9 85.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.13 -48.52 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1124 ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 80.9 t90 -61.04 -45.44 94.79 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.142 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -62.27 -38.73 90.44 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.677 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.122 0.486 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.72 -38.78 89.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.248 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.26 -41.95 98.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.258 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.13 -42.38 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.51 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.534 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.53 -43.98 97.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.73 91.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.323 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.47 -40.6 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' CG ' ' B' 1121 ' ' TYR . 86.0 mt -103.5 25.79 9.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -149.62 -61.68 0.22 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.076 0.465 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.93 -3.71 85.28 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.02 77.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.58 157.81 89.11 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.983 0.42 . . . . 0.0 111.167 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 58.7 Cg_endo -73.42 -20.79 20.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.41 2.074 . . . . 0.0 112.276 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.772 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.63 -26.88 53.44 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.672 2.248 . . . . 0.0 112.459 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 33.2 mttt 47.55 37.5 6.6 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.5 mtm -84.9 146.57 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 46.9 p -68.72 160.09 78.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -51.66 -42.68 55.28 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.256 1.971 . . . . 0.0 111.851 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.3 -40.75 86.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.627 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -63.36 -42.99 98.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.73 -40.17 96.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.036 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -61.74 -42.48 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.628 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.65 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.1 mtt -61.76 -42.12 98.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.0 t -62.98 -42.67 99.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.43 -40.9 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -66.74 -40.09 88.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.66 -40.35 92.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.5 m -68.88 -39.97 79.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.6 -44.81 95.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.888 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -130.5 75.89 0.42 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.45 143.8 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.764 2.31 . . . . 0.0 111.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -132.95 98.04 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.467 HG12 ' HB2' ' B' 1074 ' ' ALA . 79.1 t -66.16 -41.72 89.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.664 HD13 ' OE2' ' B' 1112 ' ' GLU . 55.8 mt 63.52 20.63 12.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.467 ' HB2' HG12 ' B' 1072 ' ' VAL . . . -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 73.3 p -79.16 167.16 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.76 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -64.03 -11.75 32.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.945 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.93 47.47 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1078 ' ' ALA . . . . . 0.518 ' HB1' ' HE3' ' B' 1082 ' ' LYS . . . -60.19 -39.64 87.22 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.426 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -68.66 135.01 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.373 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.67 72.96 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 1.3 m -104.56 -40.96 5.84 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.445 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1082 ' ' LYS . . . . . 0.518 ' HE3' ' HB1' ' B' 1078 ' ' ALA . 98.5 mttt -63.63 -21.46 66.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.055 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 92.3 mttt -61.31 -23.84 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.279 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -61.42 135.41 57.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.11 0.481 . . . . 0.0 110.24 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -95.39 104.98 16.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.719 HD11 ' HB1' ' B' 1109 ' ' ALA . 24.0 mt -118.56 -11.41 9.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 91.3 p -63.03 -17.82 62.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.908 0.385 . . . . 0.0 110.252 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -91.22 -7.6 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -86.93 133.31 33.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.012 0.434 . . . . 0.0 110.534 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.8 160.37 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.824 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.2 -47.13 82.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.969 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.58 94.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.661 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.425 HD13 ' HE1' ' B' 1114 ' ' PHE . 74.0 mt -64.93 -39.84 94.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.541 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -60.06 -47.31 86.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.969 0.414 . . . . 0.0 110.18 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 60.3 t0 -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.281 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.576 HG22 HD21 ' B' 1106 ' ' LEU . 95.0 m -60.66 -44.97 95.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.748 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.01 -46.74 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.96 -38.21 87.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 67.8 p -90.69 -1.88 57.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.497 ' OG ' HD22 ' B' 1106 ' ' LEU . 45.1 t -66.3 127.12 30.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.595 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -113.03 3.15 16.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.883 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -119.18 136.8 54.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.633 0.254 . . . . 0.0 110.471 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.511 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.1 tt -64.37 -36.26 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.246 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1105 ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' 1104 ' ' ILE . 98.4 mt-10 -62.05 -43.8 98.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.363 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.576 HD21 HG22 ' B' 1097 ' ' THR . 7.7 tt -65.4 -39.37 92.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.304 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' 1104 ' ' ILE . 70.1 mt -60.61 -43.23 97.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.826 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.73 88.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.719 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -62.2 -43.57 98.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.806 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.9 m -66.1 -40.23 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.166 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.6 -41.21 97.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.314 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1112 ' ' GLU . . . . . 0.664 ' OE2' HD13 ' B' 1073 ' ' LEU . 93.7 mt-10 -64.09 -42.1 97.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.593 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.81 -40.75 97.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.425 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.5 m-30 -63.38 -44.16 95.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.737 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -62.2 -46.96 86.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -63.58 -42.55 98.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.88 -42.4 97.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' 1062 ' ' MET . 74.8 mt -63.92 -40.2 95.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.769 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.0 tptt -61.23 -45.63 93.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.7 t -62.96 -40.97 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.034 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.497 ' CD1' HD11 ' A' ' 55' ' ' LEU . 90.8 t80 -59.13 -47.3 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.35 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 29.3 m80 -61.31 -42.66 99.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.849 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.8 t90 -60.71 -45.55 93.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.022 0.439 . . . . 0.0 110.538 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -61.31 -36.93 81.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 46.8 t -60.82 -41.01 94.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.066 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.89 -46.37 82.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.007 0.432 . . . . 0.0 110.812 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -70.21 -39.11 75.34 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.535 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -72.1 -40.49 68.14 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.516 0.674 . . . . 0.0 110.553 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -138.33 148.37 44.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 118.14 -0.934 . . . . 0.0 110.512 179.575 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.695 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.59 -39.97 93.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.121 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.21 -39.75 93.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.04 -44.05 97.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.85 -44.33 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.83 -41.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.754 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' B' 1121 ' ' TYR . 89.6 mt -102.0 26.11 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.578 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -148.78 -61.36 0.24 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.014 0.435 . . . . 0.0 110.421 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.69 -3.36 80.78 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.4 22.1 76.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.32 159.13 86.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.898 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.87 -23.66 21.97 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.364 2.043 . . . . 0.0 112.25 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.883 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.818 -179.765 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.28 144.9 52.61 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.905 2.403 . . . . 0.0 111.862 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.17 -28.04 69.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.271 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.0 mtm -73.84 142.1 46.12 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.298 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.1 p -71.42 161.97 75.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.653 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.17 -43.35 53.85 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 121.973 1.782 . . . . 0.0 111.702 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.19 -40.92 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.515 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -64.34 -41.01 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.35 -40.77 98.21 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.408 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.78 -41.61 99.33 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.66 -41.95 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.72 -39.89 94.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.65 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.444 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -63.01 -41.81 99.65 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.51 -42.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.07 -43.56 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.419 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -69.8 -39.79 76.37 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.68 HD13 ' CD2' ' B' 1115 ' ' HIS . 75.7 mt -64.2 -39.91 94.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.785 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.7 m -69.58 -39.37 77.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.382 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -57.46 -50.09 74.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.475 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -98.43 149.97 19.27 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.183 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1070 ' ' PRO . . . . . 0.457 ' HB2' HD12 ' B' 1073 ' ' LEU . 72.3 Cg_endo -79.87 85.69 1.79 Allowed 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.3 2.0 . . . . 0.0 112.079 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.54 87.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 55.0 t -59.43 -46.96 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.457 HD12 ' HB2' ' B' 1070 ' ' PRO . 88.1 mt -64.29 -40.45 95.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.68 99.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.366 0.603 . . . . 0.0 110.121 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 94.1 m -63.22 -46.11 88.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.751 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.17 -40.7 98.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.727 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' B' 1078 ' ' ALA . . . -62.3 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.368 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1078 ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' B' 1077 ' ' ALA . . . 171.5 109.87 0.01 OUTLIER 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.3 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 81.86 2.61 90.6 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 91.7 m -61.42 -40.84 95.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.948 0.404 . . . . 0.0 110.72 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.98 -43.5 98.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.495 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -65.95 -37.86 87.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.646 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.94 106.27 16.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.76 97.3 8.52 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.56 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.663 ' HB3' HD21 ' B' 1094 ' ' LEU . 45.1 mt -106.23 3.32 27.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.858 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -68.81 -10.75 58.53 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.261 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -98.34 -9.94 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.03 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -82.15 136.25 35.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.021 0.438 . . . . 0.0 110.914 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.66 160.06 14.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.952 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.8 t80 -57.15 -47.02 82.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.645 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.61 91.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.412 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.88 -43.3 96.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.5 mt -66.01 -39.54 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.2 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.15 -48.18 82.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.812 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1096 ' ' ASP . . . . . 0.418 ' O ' HG22 ' B' 1100 ' ' THR . 58.9 t0 -64.75 -39.71 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.07 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.619 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.2 m -60.34 -44.02 95.89 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.669 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.421 HG23 ' CD2' ' B' 1107 ' ' LEU . 94.9 mt -61.72 -47.31 93.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 0.0 111.036 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -62.28 -38.83 90.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1100 ' ' THR . . . . . 0.418 HG22 ' O ' ' B' 1096 ' ' ASP . 9.7 t -90.66 -0.79 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.528 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.71 ' OG ' HD21 ' B' 1107 ' ' LEU . 80.4 p -62.86 152.41 36.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.234 0.54 . . . . 0.0 110.796 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 19.5 p -129.72 -4.69 4.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.05 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -126.21 140.99 52.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.124 0.488 . . . . 0.0 111.272 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.429 ' HA ' HD12 ' B' 1107 ' ' LEU . 48.1 pt -68.52 -25.44 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.02 -46.31 88.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.619 HD21 ' CG2' ' B' 1097 ' ' THR . 56.4 tp -66.5 -41.38 88.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.976 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.71 HD21 ' OG ' ' B' 1101 ' ' SER . 78.4 mt -60.13 -42.12 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.663 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.33 88.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.295 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.109 0.481 . . . . 0.0 110.945 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' B' 1086 ' ' LEU . 84.7 m -67.65 -40.6 84.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.45 -44.02 97.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.085 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.64 -39.97 92.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.347 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.56 -40.4 96.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.096 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.534 ' HB3' HD11 ' B' 1066 ' ' LEU . 3.7 m-30 -62.99 -40.68 98.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.68 ' CD2' HD13 ' B' 1066 ' ' LEU . 61.4 m170 -63.23 -42.67 99.27 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.705 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.8 -43.43 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.552 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -63.3 -41.96 99.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.444 HD11 ' HB3' ' B' 1062 ' ' MET . 76.5 mt -64.91 -41.44 95.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.317 . . . . 0.0 110.73 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -62.84 -42.99 99.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.4 t -63.9 -42.48 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.932 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.511 ' CG ' HD11 ' A' ' 55' ' ' LEU . 85.1 t80 -59.29 -48.11 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.41 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.64 -46.4 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.06 96.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.0 t90 -59.89 -46.01 90.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 120.727 0.299 . . . . 0.0 110.4 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -61.98 -37.38 84.6 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 48.3 t -60.1 -43.11 95.83 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.08 -45.85 83.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.164 0.507 . . . . 0.0 111.21 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -69.39 -39.97 77.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.677 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.98 -40.53 68.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -130.71 137.01 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.16 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.575 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.03 -42.66 99.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.664 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.44 95.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.489 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.05 -43.35 99.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.45 -40.43 97.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.08 -43.02 99.75 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.513 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.684 HD11 ' HA3' ' A' ' 61' ' ' GLY . 83.2 mt -60.17 -42.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.649 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' B' 1121 ' ' TYR . 88.9 mt -98.13 19.15 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.987 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -144.4 -62.21 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.754 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.99 -6.99 88.46 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.67 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.85 79.39 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.05 159.45 83.99 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.674 0.273 . . . . 0.0 111.072 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.9 Cg_endo -72.43 -20.72 23.6 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.311 2.007 . . . . 0.0 112.291 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.684 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.49 133.78 23.11 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.933 2.422 . . . . 0.0 111.806 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -75.41 -28.64 59.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 16.4 mtm -72.53 152.02 42.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.0 p -71.11 162.33 73.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.16 -41.37 65.63 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.285 1.99 . . . . 0.0 111.639 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.33 -40.7 85.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.03 -41.51 99.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.429 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.25 99.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.79 -41.08 97.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.552 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.8 mtt -62.8 -41.81 99.44 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.623 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.6 m -63.7 -40.82 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.62 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.22 -41.84 98.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -67.17 -39.67 86.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 110.448 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.92 -39.09 79.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 73.4 m -63.06 -44.98 94.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -72.68 -27.98 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -90.9 156.69 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.19 152.07 50.02 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.895 2.397 . . . . 0.0 112.207 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -98.95 100.94 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.419 HG22 ' H ' ' B' 1074 ' ' ALA . 14.7 p -158.21 133.4 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' B' 1108 ' ' ALA . 79.5 mt -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.728 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.599 ' HB3' ' CB ' ' B' 1108 ' ' ALA . . . 64.5 22.09 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.627 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.3 130.01 28.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.98 1.31 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -160.4 153.69 21.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.147 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -63.64 -20.31 65.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.612 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.55 78.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -63.12 -40.04 98.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 86.0 m -63.56 -41.4 98.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.98 0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -61.01 -41.76 97.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -61.87 -36.81 82.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.192 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1084 ' ' TYR . . . . . 0.417 ' O ' HD12 ' B' 1086 ' ' LEU . 1.8 m-85 -110.05 37.22 2.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.04 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.94 87.22 2.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' B' 1109 ' ' ALA . 0.8 OUTLIER -98.93 23.37 9.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.698 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -61.11 -17.96 55.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.632 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.27 -12.64 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -72.56 134.88 45.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.62 160.42 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.841 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.82 -46.51 81.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.724 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.76 93.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -63.21 -43.43 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.663 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.471 HD11 ' CD ' ' B' 1113 ' ' GLU . 64.5 mt -64.88 -38.35 90.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.367 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.16 -47.72 82.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.203 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.4 t0 -64.82 -39.39 93.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.878 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.743 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.21 -42.45 95.16 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.71 -47.31 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -62.47 -37.49 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 70.6 p -89.92 -1.78 58.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.963 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.1 t -66.39 128.64 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 120.992 0.425 . . . . 0.0 110.377 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 79.2 m -123.71 22.0 9.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.64 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -148.39 151.97 36.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.635 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.18 -27.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.983 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.31 -46.24 87.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.534 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.743 HD21 ' CG2' ' B' 1097 ' ' THR . 50.1 tp -67.17 -40.24 86.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.5 -40.45 94.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.759 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1108 ' ' ALA . . . . . 0.599 ' CB ' ' HB3' ' B' 1074 ' ' ALA . . . -70.14 -32.79 70.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -64.41 -48.59 74.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.478 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 12.7 p -71.42 -41.13 69.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.72 -42.24 98.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.342 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.92 -43.29 96.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.168 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1113 ' ' GLU . . . . . 0.471 ' CD ' HD11 ' B' 1094 ' ' LEU . 88.3 tt0 -62.03 -41.59 98.26 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.448 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.7 m-30 -60.39 -44.23 95.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.521 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -61.12 -46.98 88.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.73 -41.51 95.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.53 -42.04 98.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1062 ' ' MET . 77.2 mt -63.06 -40.57 98.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.642 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 18.7 tptm -61.74 -44.69 96.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.89 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.201 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.552 ' HB2' HD21 ' A' ' 55' ' ' LEU . 90.1 t80 -59.21 -47.56 84.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.452 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 53.1 m170 -62.57 -41.65 99.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.401 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.32 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.785 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 68.7 t90 -60.51 -46.0 91.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.808 0.337 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.68 -39.11 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.5 m -63.15 -40.57 97.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -65.59 -45.57 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.156 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -71.02 -38.28 72.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.501 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.28 -67.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -75.73 130.94 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.405 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.614 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.636 HD12 ' OD2' ' A' ' 49' ' ' ASP . 88.5 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.17 -42.01 98.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.64 -39.92 93.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.636 ' OD2' HD12 ' A' ' 46' ' ' ILE . 99.5 m-20 -63.01 -40.7 98.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.791 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 0.0 110.539 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.47 -40.57 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.49 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.02 91.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.322 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.3 -41.11 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.7 mt -101.67 26.45 7.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -150.94 -62.97 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.209 0.528 . . . . 0.0 110.854 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.9 -4.93 88.34 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.54 21.8 76.32 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.97 156.69 86.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.128 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -75.46 -20.85 15.6 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.461 2.107 . . . . 0.0 112.273 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.9 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.66 134.59 22.39 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.761 2.307 . . . . 0.0 112.153 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -95.7 -8.59 34.19 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.29 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1053 ' ' MET . . . . . 0.419 ' HE1' ' HG3' ' B' 1061 ' ' GLU . 23.5 mtm -80.1 159.16 26.2 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.8 p -70.57 161.08 79.13 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.98 -42.32 59.07 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.294 1.996 . . . . 0.0 111.928 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -40.52 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.381 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.72 -41.06 98.14 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.4 mtm -63.27 -40.85 98.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.258 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.6 -41.84 99.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.732 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.67 -41.2 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1061 ' ' GLU . . . . . 0.419 ' HG3' ' HE1' ' B' 1053 ' ' MET . 79.4 mm-40 -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.49 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.97 -42.88 99.62 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.355 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 74.6 m -63.78 -41.3 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.23 -41.82 99.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.66 -40.91 88.83 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.83 HD13 ' CE1' ' B' 1115 ' ' HIS . 82.0 mt -65.48 -41.82 92.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.488 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.9 t -64.3 -44.04 92.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.741 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -62.28 -39.89 94.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.214 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -69.29 -106.53 0.03 OUTLIER Glycine 0 CA--C 1.534 1.263 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1070 ' ' PRO . . . . . 0.803 ' HG3' HD21 ' B' 1073 ' ' LEU . 52.4 Cg_endo -70.51 145.35 52.55 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.879 1.719 . . . . 0.0 112.383 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.25 99.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.728 HG22 ' H ' ' B' 1074 ' ' ALA . 14.9 p -146.57 130.23 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.584 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.803 HD21 ' HG3' ' B' 1070 ' ' PRO . 81.6 mt -106.36 14.6 27.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.143 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.728 ' H ' HG22 ' B' 1072 ' ' VAL . . . -62.2 -27.52 69.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.15 0.5 . . . . 0.0 110.254 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 2.1 m -66.82 150.68 48.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.649 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1076 ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' B' 1079 ' ' ALA . 29.9 mmmt -91.1 17.35 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.68 141.5 57.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 110.241 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1078 ' ' ALA . . . . . 0.521 ' HB1' ' OG1' ' B' 1081 ' ' THR . . . 62.18 20.55 11.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1079 ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' B' 1076 ' ' LYS . . . -63.52 -38.64 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 110.976 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -99.76 13.38 60.89 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1081 ' ' THR . . . . . 0.521 ' OG1' ' HB1' ' B' 1078 ' ' ALA . 73.0 p -100.3 12.55 36.85 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -89.93 33.91 0.86 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -62.57 -23.69 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.15 136.42 55.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.318 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.2 t0 -89.1 77.21 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.626 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.3 mt -99.71 -1.59 37.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.046 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.9 p -68.0 -12.37 60.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.3 . . . . 0.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -98.06 -8.79 27.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -81.04 137.5 36.03 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.145 0.498 . . . . 0.0 110.706 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.67 161.91 14.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.751 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.99 -46.87 81.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.66 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.66 93.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.84 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.9 mt -64.61 -39.32 93.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.438 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -59.56 -48.1 82.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.847 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.64 -39.03 93.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.958 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.723 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.8 m -59.9 -44.06 94.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.307 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.2 -48.26 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.57 -38.15 88.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 79.8 p -89.6 -1.2 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.72 ' OG ' HD21 ' B' 1107 ' ' LEU . 62.7 p -57.3 129.99 44.25 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 110.594 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 -2.88 12.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.475 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -131.36 142.88 50.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.407 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.8 pt -67.44 -26.77 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.96 -44.97 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.723 HD21 ' CG2' ' B' 1097 ' ' THR . 50.8 tp -65.6 -41.48 92.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.861 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.72 HD21 ' OG ' ' B' 1101 ' ' SER . 55.7 mt -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.906 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1108 ' ' ALA . . . . . 0.452 ' HB1' ' HB1' ' B' 1078 ' ' ALA . . . -62.34 -38.39 89.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.65 93.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.446 ' SG ' HD13 ' B' 1086 ' ' LEU . 88.2 m -66.96 -40.59 87.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.499 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.54 -43.58 98.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.15 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.29 -40.19 89.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.46 -41.17 98.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.123 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.469 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.82 -42.97 97.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.495 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.83 ' CE1' HD13 ' B' 1066 ' ' LEU . 3.8 m-70 -63.22 -43.98 96.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.81 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -66.31 -42.09 88.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -64.25 -42.39 96.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' 1059 ' ' ALA . 76.7 mt -63.68 -40.01 95.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.476 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.82 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.5 t -61.86 -41.85 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.87 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.32 -46.85 87.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.68 -47.08 87.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.42 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 77.7 t90 -60.65 -46.44 90.29 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.856 0.36 . . . . 0.0 110.361 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -62.79 -38.6 91.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.95 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 54.0 p -62.54 -37.34 85.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.97 -44.73 68.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 0.0 111.376 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -69.6 -38.78 77.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.356 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -80.46 -29.83 37.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.159 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -138.93 136.92 35.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.678 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.94 -42.72 99.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.667 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -61.45 -39.84 92.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.47 -40.68 97.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.5 -42.57 99.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.38 -40.15 96.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.19 -43.33 99.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.516 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.02 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 0.0 110.275 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 51' ' ' ALA . 89.2 mt -59.46 -41.89 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -100.98 23.61 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.682 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -144.77 -61.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.0 -2.89 74.06 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.35 22.09 76.18 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 159.2 84.16 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.425 0.155 . . . . 0.0 111.215 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.65 -38.7 59.49 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.196 1.931 . . . . 0.0 112.32 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.946 -1.475 . . . . 0.0 110.892 -179.479 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 157.91 49.84 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.088 2.525 . . . . 0.0 111.889 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -81.44 -3.12 51.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.097 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.9 mtm -64.43 145.79 55.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.166 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.2 p -70.34 160.9 79.43 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.23 -42.67 46.38 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.179 1.92 . . . . 0.0 111.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.31 -40.7 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -62.44 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.26 -40.33 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.984 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.443 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.92 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.47 -42.11 98.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.704 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.49 -40.73 97.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.497 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.9 mtt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -61.37 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.456 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.98 -42.97 99.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -66.74 -40.45 88.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.28 0.562 . . . . 0.0 110.304 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.774 HD22 ' NE2' ' B' 1115 ' ' HIS . 89.2 mt -67.46 -38.52 84.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.534 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.7 m -60.97 -45.57 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -77.47 -28.76 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.603 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -125.42 78.45 0.37 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.54 -39.43 82.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.239 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' B' 1111 ' ' ARG . . . 48.06 72.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 64.3 t -119.64 89.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.148 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.57 ' HB3' HG22 ' B' 1075 ' ' THR . 83.6 mt -64.98 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.452 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 62.94 40.87 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.491 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.57 HG22 ' HB3' ' B' 1073 ' ' LEU . 13.1 t -150.47 175.46 11.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.762 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.33 -39.7 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.727 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 51.05 37.62 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.725 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1078 ' ' ALA . . . . . 0.586 ' O ' HG23 ' B' 1081 ' ' THR . . . -61.41 -40.63 95.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.238 0.542 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -72.7 120.59 18.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.078 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 99.19 6.76 55.46 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1081 ' ' THR . . . . . 0.586 HG23 ' O ' ' B' 1078 ' ' ALA . 20.9 p -61.6 -25.75 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.385 -0.479 . . . . 0.0 110.934 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -61.18 -41.83 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 89.6 mttt -82.36 -24.98 34.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.52 . . . . 0.0 110.261 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1084 ' ' TYR . . . . . 0.409 ' HA ' ' HB1' ' B' 1109 ' ' ALA . 12.7 m-30 -64.07 -33.18 75.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.24 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.8 t0 -71.95 77.77 0.91 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.074 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.615 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.9 mt -102.92 18.59 21.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 90.8 p -61.82 -17.03 54.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.94 0.4 . . . . 0.0 110.339 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -89.22 -10.65 46.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.8 m95 -85.74 130.81 34.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.69 159.81 15.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.824 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.55 -47.89 80.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.87 95.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.699 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.85 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.93 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' 1086 ' ' LEU . 76.1 mt -64.77 -39.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.149 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.27 -47.77 84.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.873 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.0 -39.83 95.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.714 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.5 m -61.78 -43.85 98.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.719 HD13 HH12 ' B' 1111 ' ' ARG . 92.3 mt -61.46 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -61.34 -39.29 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.3 t -90.37 -2.95 58.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.464 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -65.37 134.09 52.78 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.025 0.441 . . . . 0.0 110.562 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.9 m -115.36 -5.45 12.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.389 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -114.9 143.88 44.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.856 0.36 . . . . 0.0 110.669 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.403 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.8 pt -69.59 -27.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.04 -45.05 90.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.107 0.48 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.714 HD21 ' CG2' ' B' 1097 ' ' THR . 52.8 tp -66.52 -40.57 89.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.142 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' 1101 ' ' SER . 84.9 mt -60.62 -44.58 96.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.546 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.66 81.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.54 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' B' 1084 ' ' TYR . . . -61.92 -43.56 98.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.669 ' HB3' HD11 ' B' 1098 ' ' ILE . 84.0 m -67.22 -40.0 86.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1111 ' ' ARG . . . . . 0.719 HH12 HD13 ' B' 1098 ' ' ILE . 87.8 mmt-85 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.316 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.0 -41.08 95.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.56 -42.52 96.77 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.528 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -65.77 -38.55 89.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.418 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.774 ' NE2' HD22 ' B' 1066 ' ' LEU . 58.4 m-70 -61.37 -46.55 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.672 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.34 -42.36 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.49 -41.49 96.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.498 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' 1062 ' ' MET . 66.1 mt -64.3 -40.11 95.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.49 -44.75 96.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.5 t -62.9 -41.94 94.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.1 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.93 -46.91 86.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.35 -46.86 87.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.36 98.67 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.015 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 79.9 t90 -60.97 -46.15 91.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -62.73 -36.57 83.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.325 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.4 m -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.081 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.58 -50.18 66.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.016 0.436 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -66.21 -39.34 89.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.327 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.33 -40.2 74.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.247 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -73.09 124.57 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.58 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.238 0.542 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.51 -37.37 80.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -62.33 -38.35 89.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.206 0.527 . . . . 0.0 109.643 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.61 -40.81 97.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -42.49 99.58 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.463 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.53 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.605 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.05 -42.85 99.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.692 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.03 93.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.108 0.48 . . . . 0.0 110.425 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.15 -41.73 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.2 23.29 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.714 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -147.44 -62.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.148 0.499 . . . . 0.0 110.873 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.38 -5.93 86.56 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.17 19.31 77.24 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.08 159.47 85.11 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.047 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.1 Cg_endo -71.46 -21.6 25.9 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.279 1.986 . . . . 0.0 112.194 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 117.895 -1.503 . . . . 0.0 110.95 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.8 150.05 61.24 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.933 2.422 . . . . 0.0 112.04 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.2 pttt -62.22 -25.93 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp -68.93 138.06 54.31 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.5 p -73.2 161.61 78.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.213 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.09 -42.7 51.99 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.09 1.86 . . . . 0.0 111.858 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.46 -41.14 85.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.87 -42.39 99.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.1 -42.18 99.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.516 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.54 -42.36 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.236 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -41.89 98.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.56 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 72.5 mtm -65.3 -39.29 92.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.3 m -62.05 -40.72 96.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.322 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.31 -42.16 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -67.09 -40.32 86.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.071 0.462 . . . . 0.0 110.477 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.419 HD11 ' HB3' ' B' 1114 ' ' PHE . 83.1 mt -65.02 -40.45 94.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 89.9 p -64.15 -39.2 93.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.357 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -63.82 -40.26 96.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . 50.74 58.5 9.18 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1070 ' ' PRO . . . . . 0.542 ' O ' HG23 ' B' 1072 ' ' VAL . 20.7 Cg_endo -59.82 -28.8 88.06 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.742 2.294 . . . . 0.0 112.123 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.471 ' HB1' ' HG ' ' B' 1073 ' ' LEU . . . -62.02 -38.3 88.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' 1070 ' ' PRO . 8.0 t 58.89 19.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.531 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.511 HD21 HD12 ' B' 1104 ' ' ILE . 83.3 mt -63.36 -39.38 94.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.643 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' 1073 ' ' LEU . . . 64.1 30.49 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 150.14 45.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.42 -39.55 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.434 ' CB ' ' HB1' ' B' 1108 ' ' ALA . . . 55.03 34.2 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.91 92.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.88 95.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -64.97 -40.95 97.52 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 91.3 m -61.55 -42.38 98.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.87 -41.31 97.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.4 mttm -64.8 -38.2 90.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.946 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.01 104.65 14.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.803 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -80.23 101.66 9.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.494 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.695 ' HB3' HD21 ' B' 1094 ' ' LEU . 46.8 mt -111.44 3.93 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.918 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.3 p -69.84 -10.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.327 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -98.42 -1.94 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -90.51 134.74 34.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.749 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 161.62 11.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -56.62 -47.45 79.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.93 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.95 95.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.486 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.971 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.695 HD21 ' HB3' ' B' 1086 ' ' LEU . 54.4 mt -66.05 -39.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.757 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -48.92 79.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.066 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.32 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.26 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.44 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.0 m -60.55 -44.62 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.463 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 111.002 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -61.51 -38.71 88.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.38 -2.24 57.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.626 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.4 t -65.11 137.1 57.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.97 0.414 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.2 p -118.1 -3.77 11.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.521 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.69 138.65 51.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.511 HD12 HD21 ' B' 1073 ' ' LEU . 46.6 pt -68.62 -27.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.94 -45.39 89.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.189 0.518 . . . . 0.0 110.518 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.44 HD21 ' CG2' ' B' 1097 ' ' THR . 47.1 tp -65.79 -40.42 91.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1101 ' ' SER . 85.9 mt -61.03 -41.78 97.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.676 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1108 ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' B' 1077 ' ' ALA . . . -62.95 -37.59 87.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.342 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.47 98.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.2 m -67.14 -40.32 86.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.66 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -61.52 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.16 -40.73 94.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.22 -39.91 95.97 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.245 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.45 ' HE1' HD13 ' B' 1094 ' ' LEU . 5.0 m-30 -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.951 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -60.91 -48.89 79.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.94 -44.32 96.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.79 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.516 HD21 ' HA ' ' B' 1059 ' ' ALA . 77.9 mt -64.12 -40.45 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.43 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -61.41 -46.7 89.02 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.339 . . . . 0.0 110.438 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 59.8 t -62.27 -40.52 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.568 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.7 t80 -58.74 -48.2 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.19 -45.94 92.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.11 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.82 90.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.2 t90 -60.95 -45.9 92.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.463 0.649 . . . . 0.0 110.217 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.05 -35.49 77.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.26 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.6 m -69.07 -38.89 79.31 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -67.81 -29.09 68.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.481 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 14.9 m120 -92.95 -40.15 10.74 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.396 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -72.69 -41.49 65.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.206 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -113.38 123.44 50.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.631 179.775 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.531 HG22 ' H ' ' A' ' 48' ' ' ASN . 84.3 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.081 0.467 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' H ' HG22 ' A' ' 46' ' ' ILE . 25.7 m120 -61.54 -39.79 92.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.66 -40.75 98.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.4 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.14 -40.26 97.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.26 -44.57 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.19 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.71 -40.43 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.568 HD11 ' CG ' ' B' 1121 ' ' TYR . 81.9 mt -103.59 26.87 7.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.511 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.92 -62.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.045 0.45 . . . . 0.0 110.456 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.5 -6.1 87.83 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.329 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.44 20.65 78.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.95 159.83 82.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.331 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -70.68 -25.09 24.74 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.352 2.034 . . . . 0.0 112.094 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.797 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.08 -43.31 49.11 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.683 2.255 . . . . 0.0 112.189 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -123.18 -65.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.631 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 19.3 mtm -141.79 163.94 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 32.2 p -69.97 162.63 67.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.406 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.75 -41.9 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.195 1.93 . . . . 0.0 111.709 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.65 -40.49 92.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.206 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -63.81 -41.3 97.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.9 -41.21 99.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.81 97.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -62.54 -41.36 98.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.905 0.383 . . . . 0.0 110.462 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 55' ' ' LEU . 27.5 mtt -63.55 -40.74 97.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.523 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 73.5 m -63.35 -40.42 97.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.668 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.28 -42.57 99.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -67.36 -40.96 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 0.0 110.594 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.761 HD13 ' CE1' ' B' 1115 ' ' HIS . 88.2 mt -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.7 m -63.24 -43.56 97.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -64.27 -39.37 93.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.73 166.18 53.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.21 140.49 94.46 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.898 2.399 . . . . 0.0 111.995 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' B' 1074 ' ' ALA . . . -112.3 -11.87 13.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 55.8 t -61.7 -43.6 97.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' B' 1077 ' ' ALA . 92.4 mt -64.39 -25.23 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' 1071 ' ' ALA . . . -58.18 -34.51 70.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.236 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 72.9 p -126.39 158.94 34.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 49.88 36.47 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.521 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' 1073 ' ' LEU . . . -159.87 -66.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 53.18 82.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.2 146.31 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -94.11 0.95 67.03 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 79.7 p -69.93 -20.62 63.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.86 -14.74 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -53.48 -20.58 4.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.738 0.304 . . . . 0.0 110.968 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -62.23 144.23 55.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.027 0.442 . . . . 0.0 110.131 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -89.73 76.52 7.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.681 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.439 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.2 mt -101.39 -0.16 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.947 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 93.7 p -69.6 -11.02 60.5 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.447 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -94.0 -11.07 31.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -81.02 138.39 36.03 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.0 158.07 23.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.61 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -55.69 -46.53 77.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.807 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.26 94.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.22 -43.57 97.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.854 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' 1086 ' ' LEU . 71.4 mt -64.1 -39.85 94.95 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.466 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -59.84 -47.93 83.73 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.255 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.19 -39.11 92.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -44.41 97.45 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.41 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.0 -46.99 95.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.79 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -62.28 -38.08 87.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.4 p -90.14 -2.33 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.54 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.9 t -71.76 128.92 37.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.089 0.471 . . . . 0.0 110.37 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 13.7 p -109.51 -4.66 16.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.606 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.45 138.6 48.97 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.95 0.405 . . . . 0.0 110.655 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.455 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.3 pt -69.43 -27.73 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.08 -45.62 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.51 -40.2 92.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.54 HD21 ' HB3' ' B' 1101 ' ' SER . 82.3 mt -60.72 -42.49 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.798 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.92 88.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.448 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.69 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.87 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.7 m -66.32 -40.59 90.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.599 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.61 -42.33 98.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.98 -40.95 95.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.41 -40.96 92.85 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.131 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.493 ' HB3' HD11 ' B' 1066 ' ' LEU . 3.9 m-30 -62.89 -43.21 99.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.344 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.761 ' CE1' HD13 ' B' 1066 ' ' LEU . 63.0 m-70 -62.5 -44.79 95.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.836 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -64.69 -41.87 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -64.39 -41.98 96.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.78 -41.0 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.56 -45.81 92.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 78.8 t -63.66 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.502 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.9 t80 -58.59 -47.72 83.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.047 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.5 -46.19 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.442 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.45 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.475 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.72 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 72.3 t90 -60.77 -45.02 95.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.243 0.544 . . . . 0.0 110.874 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.44 -39.48 83.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 67.6 m -79.75 -20.46 46.3 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -71.34 -32.97 69.17 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 9.9 p30 -99.81 -37.49 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.863 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.97 -40.39 71.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -116.51 136.89 52.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.872 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.78 -42.1 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.737 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.43 -42.15 98.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.571 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.61 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.72 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.343 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.32 -44.08 97.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.35 93.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.395 . . . . 0.0 110.326 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.94 -41.48 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' B' 1121 ' ' TYR . 84.9 mt -101.65 28.13 5.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -150.71 -61.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.153 0.501 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.71 -2.54 75.55 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.44 21.13 75.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.81 160.28 83.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.905 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.57 -25.24 21.21 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.529 2.153 . . . . 0.0 112.432 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.842 -179.758 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.8 -25.85 45.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.702 2.268 . . . . 0.0 112.264 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 33.8 mttt 47.59 36.29 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.9 mtm -84.17 150.84 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.9 p -71.59 162.13 74.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.991 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.47 -43.16 56.66 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.187 1.925 . . . . 0.0 111.832 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.81 -41.19 87.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -63.55 -42.48 98.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.306 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.99 -40.48 96.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.19 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.426 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.31 -41.89 98.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.516 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.07 -39.58 94.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.574 ' HB3' HD11 ' B' 1118 ' ' LEU . 32.3 mtt -61.32 -42.73 99.15 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.549 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -41.16 96.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.091 0.472 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.86 -41.64 97.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 96.3 p -66.49 -38.2 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.534 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.78 -40.39 97.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.488 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -66.17 133.08 33.63 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -75.66 141.31 24.65 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.263 1.975 . . . . 0.0 112.254 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.774 ' CB ' ' HB2' ' B' 1074 ' ' ALA . . . 47.34 90.59 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.043 0.449 . . . . 0.0 110.869 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 62.9 t -58.69 -44.34 89.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.281 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 72.7 mt -107.94 40.09 1.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.774 ' HB2' ' CB ' ' B' 1071 ' ' ALA . . . -59.18 -37.68 77.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.206 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 69.1 p -116.71 159.45 22.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.0 10.43 41.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.742 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 55.08 46.56 23.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.645 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.41 89.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.71 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -135.93 165.66 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 83.88 22.95 54.28 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 99.4 m -58.61 -38.48 78.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.64 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -59.63 -43.2 93.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.19 -29.37 63.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.229 0.538 . . . . 0.0 110.089 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1084 ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' B' 1084 ' ' TYR . 11.4 m-30 -68.1 -28.38 67.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.721 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -75.16 77.47 2.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.609 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.2 mt -106.52 17.74 22.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.2 p -61.3 -18.1 56.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -86.19 -13.52 46.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.5 m95 -81.45 133.46 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.71 159.44 13.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.76 -48.27 80.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.824 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.69 94.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.26 -43.07 99.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' 1086 ' ' LEU . 72.6 mt -64.25 -39.66 94.4 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -59.6 -47.19 86.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.831 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.49 -40.23 95.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.214 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.52 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.3 -44.13 95.67 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.8 mt -60.23 -46.6 94.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.4 -36.81 83.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.5 p -89.64 -1.95 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.658 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.498 ' HB2' HD21 ' B' 1107 ' ' LEU . 66.2 m -61.15 130.18 45.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.916 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.5 m -113.58 -2.85 13.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.605 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -127.55 151.4 48.93 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.6 pt -69.56 -28.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.17 -44.94 90.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.091 0.472 . . . . 0.0 110.48 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.52 HD21 ' CG2' ' B' 1097 ' ' THR . 51.5 tp -66.11 -40.53 90.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.012 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' 1101 ' ' SER . 76.5 mt -61.25 -42.63 98.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.66 -31.45 71.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.377 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.87 88.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.978 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.445 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.4 m -69.6 -40.18 76.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.539 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.975 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.37 -43.21 95.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.88 -41.3 97.78 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.34 -43.46 98.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.14 -47.58 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -63.8 -41.7 97.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -63.1 -41.55 99.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.763 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' 1062 ' ' MET . 73.5 mt -62.33 -39.81 94.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.263 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 16.8 tptm -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.611 ' HB2' HD21 ' A' ' 55' ' ' LEU . 75.5 t80 -58.29 -48.3 80.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.356 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.79 -45.15 95.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.194 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.82 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 64.5 t90 -61.31 -46.1 91.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.296 0.569 . . . . 0.0 110.414 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.82 -36.39 78.93 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.021 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 44.1 t -66.73 -41.46 87.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.865 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.054 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 16.8 m120 -92.35 -39.73 11.31 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 111.881 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -72.01 -39.61 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.363 0.601 . . . . 0.0 110.153 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.1 137.88 54.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.729 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.56 -40.92 96.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.23 -39.51 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.53 -42.93 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.55 -39.99 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.35 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.39 -44.67 96.74 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.739 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.63 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.942 0.401 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.1 -41.28 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.946 0.403 . . . . 0.0 110.624 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' B' 1121 ' ' TYR . 86.8 mt -101.57 26.07 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -150.31 -62.08 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.017 0.437 . . . . 0.0 110.351 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -4.55 86.41 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.3 21.45 77.3 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.24 159.35 83.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 111.009 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.2 Cg_endo -72.98 -21.46 20.78 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 118.049 -1.417 . . . . 0.0 110.604 -179.813 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.1 146.13 98.01 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.222 2.615 . . . . 0.0 111.796 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 23.4 pttp -62.98 -23.44 67.44 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.681 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1053 ' ' MET . . . . . 0.401 ' HB3' ' HE2' ' B' 1053 ' ' MET . 72.4 mtp -68.25 141.12 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 81.9 p -71.28 157.64 89.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.042 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.4 -42.21 49.01 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.196 1.931 . . . . 0.0 111.799 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.44 -41.31 89.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.741 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -63.74 -41.87 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.46 -40.83 98.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.875 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.96 99.06 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -42.04 98.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.777 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.92 -39.92 94.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.415 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.667 ' HB3' HD11 ' B' 1118 ' ' LEU . 31.7 mtt -61.58 -42.86 99.46 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.1 t -62.76 -43.39 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 0.0 110.505 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.75 -41.85 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.144 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.65 -40.62 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.977 0.418 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.19 -41.54 97.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.5 m -64.35 -41.42 96.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.682 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -62.89 -41.16 99.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -88.93 171.63 39.35 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.44 141.61 97.76 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.93 2.42 . . . . 0.0 111.945 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.663 ' O ' HG23 ' B' 1075 ' ' THR . . . -118.31 -43.0 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.033 0.444 . . . . 0.0 110.783 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.3 t -61.63 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.746 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.3 -40.19 95.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.814 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.663 HG23 ' O ' ' B' 1071 ' ' ALA . 80.9 p -68.9 -41.43 78.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.508 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.83 -40.25 96.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.677 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.3 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.687 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 46.56 32.05 1.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -156.16 160.18 39.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 154.49 -49.17 0.5 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 11.4 t -77.69 -14.02 59.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.669 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 5.2 mptt -97.6 -28.53 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.673 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.53 132.65 53.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.212 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.59 76.73 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' 1094 ' ' LEU . 62.0 mt -101.05 -3.89 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.0 p -68.46 -14.2 62.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.353 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -108.34 12.32 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.86 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m0 -97.52 133.55 41.94 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 121.054 0.454 . . . . 0.0 111.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.13 162.17 9.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.26 -46.44 83.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.893 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.86 93.97 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.24 -42.36 99.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.075 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.555 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.4 mt -64.35 -39.48 93.97 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.372 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 -49.54 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -38.74 91.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.081 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.585 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -60.63 -45.54 93.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.693 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.23 -47.97 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.691 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -62.36 -38.24 88.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 80.5 p -88.48 -1.65 58.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.708 ' OG ' HD21 ' B' 1107 ' ' LEU . 64.0 p -56.64 131.47 49.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.22 0.533 . . . . 0.0 110.821 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 71.1 m -115.65 -4.46 12.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.291 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -130.18 143.77 50.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.939 0.4 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.463 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -67.0 -27.43 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.6 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.74 -44.23 94.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.182 0.515 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.585 HD21 ' CG2' ' B' 1097 ' ' THR . 50.0 tp -65.51 -41.63 92.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.708 HD21 ' OG ' ' B' 1101 ' ' SER . 48.3 mt -60.6 -42.47 96.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.141 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.68 87.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.976 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.15 97.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.858 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.0 m -64.73 -41.91 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.406 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -61.66 -43.56 98.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.342 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.1 -42.65 96.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -62.68 -41.6 99.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.526 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.499 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -62.45 -45.02 94.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.63 -47.36 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.821 0.344 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -63.67 -42.89 98.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.763 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.05 -41.3 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.126 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.667 HD11 ' HB3' ' B' 1062 ' ' MET . 68.9 mt -63.16 -40.89 98.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.406 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.6 -41.69 98.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.9 t -64.47 -41.16 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.53 ' HB2' HD21 ' A' ' 55' ' ' LEU . 74.4 t80 -59.12 -48.31 82.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.415 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.21 93.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.774 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.679 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.7 t90 -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 120.699 0.285 . . . . 0.0 110.46 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.623 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 60.1 p -64.08 -32.64 74.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -69.27 -40.51 77.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 0.0 110.79 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -91.22 -3.18 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.586 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -123.76 -61.04 1.41 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.044 0.449 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -78.24 160.83 27.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.239 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.457 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 48' ' ' ASN . 80.1 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.535 ' H ' HG22 ' A' ' 46' ' ' ILE . 4.7 m-20 -62.04 -39.04 90.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.045 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -39.93 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.623 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.3 -41.37 86.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.468 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.8 mt -98.5 22.35 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.135 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -150.23 -60.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.141 0.496 . . . . 0.0 110.95 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.86 -7.82 87.5 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 19.39 77.69 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.11 159.36 85.64 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-O 120.645 0.26 . . . . 0.0 110.759 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 70.2 Cg_endo -74.96 -18.16 19.07 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.383 2.056 . . . . 0.0 112.261 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.868 -179.832 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.6 141.76 90.84 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.117 2.545 . . . . 0.0 111.737 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -63.87 -24.77 67.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.4 mtm -66.42 141.72 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.695 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.6 p -69.23 162.09 68.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.189 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.18 -42.67 52.63 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.357 2.038 . . . . 0.0 111.888 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.06 -41.16 86.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.362 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.72 -43.16 99.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.7 mtm -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.438 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -65.53 -43.33 90.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.33 -41.17 96.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -45.64 93.2 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.653 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.76 -39.8 94.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.503 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -62.65 -41.5 99.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -41.38 99.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -64.72 -39.42 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.063 0.458 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.759 HD13 ' CE1' ' B' 1115 ' ' HIS . 81.9 mt -63.76 -41.24 98.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.597 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 89.3 p -66.33 -37.87 86.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -63.65 -40.19 96.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.99 166.93 53.18 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.88 149.14 72.06 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.712 2.274 . . . . 0.0 112.177 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -116.21 22.68 12.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.634 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.618 HG12 ' HG ' ' B' 1073 ' ' LEU . 80.3 t -104.68 124.75 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.618 ' HG ' HG12 ' B' 1072 ' ' VAL . 78.3 mt 57.23 21.78 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.65 76.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.312 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.495 HG23 ' N ' ' B' 1076 ' ' LYS . 9.9 t -62.11 -43.25 99.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1076 ' ' LYS . . . . . 0.495 ' N ' HG23 ' B' 1075 ' ' THR . 67.5 mttm -62.03 -41.25 97.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.42 ' O ' HG23 ' B' 1081 ' ' THR . . . -62.71 -42.57 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1078 ' ' ALA . . . . . 0.523 ' HB1' ' CD ' ' B' 1112 ' ' GLU . . . -61.71 -41.56 97.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.73 92.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -83.21 -10.98 81.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1081 ' ' THR . . . . . 0.647 HG21 ' HB3' ' B' 1108 ' ' ALA . 76.0 p -114.39 5.14 15.57 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -68.57 -20.34 64.52 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.739 0.304 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.97 -21.38 66.07 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.114 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1084 ' ' TYR . . . . . 0.407 ' HD1' ' HB2' ' B' 1109 ' ' ALA . 42.0 m-85 -77.89 125.04 28.75 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.0 0.429 . . . . 0.0 110.716 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -90.12 76.72 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.289 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.658 ' HB3' HD21 ' B' 1094 ' ' LEU . 56.2 mt -100.17 -3.07 32.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.1 p -64.24 -17.3 63.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -94.98 -10.91 29.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 10.9 m0 -77.43 134.74 38.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.48 159.06 16.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 48.8 t80 -56.87 -47.2 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.95 94.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.67 -44.43 93.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.658 HD21 ' HB3' ' B' 1086 ' ' LEU . 63.9 mt -65.04 -39.48 93.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.444 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.27 -47.28 86.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.068 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.61 -38.7 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.154 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.417 ' CG2' HD21 ' B' 1106 ' ' LEU . 96.4 m -61.73 -44.68 96.45 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.626 HD11 ' HB3' ' B' 1110 ' ' CYS . 90.9 mt -62.02 -45.16 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.976 0.417 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.54 -38.24 86.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.0 p -92.51 -1.78 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.425 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.1 t -68.4 128.28 36.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.518 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 17.3 p -113.38 0.28 14.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.756 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -114.94 136.91 52.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.662 0.268 . . . . 0.0 110.296 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.427 ' HA ' HD12 ' B' 1107 ' ' LEU . 16.7 tt -64.32 -34.88 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.417 HD21 ' CG2' ' B' 1097 ' ' THR . 56.9 tp -64.93 -40.78 95.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.429 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' 1104 ' ' ILE . 76.5 mt -61.13 -42.49 98.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.689 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1108 ' ' ALA . . . . . 0.647 ' HB3' HG21 ' B' 1081 ' ' THR . . . -65.47 -35.13 79.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.349 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.533 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.46 -43.76 96.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.626 ' HB3' HD11 ' B' 1098 ' ' ILE . 85.7 m -67.25 -40.33 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.46 -42.15 99.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1112 ' ' GLU . . . . . 0.523 ' CD ' ' HB1' ' B' 1078 ' ' ALA . 88.4 tt0 -64.8 -41.35 95.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.23 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -40.08 94.32 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.338 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -65.39 -40.07 93.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.759 ' CE1' HD13 ' B' 1066 ' ' LEU . 60.7 m-70 -61.32 -44.32 97.39 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.604 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.74 -41.89 87.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -64.74 -41.14 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.242 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.438 HD21 ' HA ' ' B' 1059 ' ' ALA . 61.3 mt -63.52 -41.01 98.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 45.9 tttp -62.22 -45.07 94.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.635 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.1 t -61.65 -42.22 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 110.059 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.475 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 92.1 t80 -59.18 -46.99 86.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.81 -46.34 89.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.235 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.23 99.23 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.9 t90 -61.29 -45.34 94.89 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1125 ' ' LYS . . . . . 0.409 ' HE2' ' HH ' ' B' 1121 ' ' TYR . 14.3 mmmt -61.87 -40.58 95.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 83.4 p -64.86 -36.16 83.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.22 -46.17 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.222 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -72.61 -38.06 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.542 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -85.21 -66.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 49.0 tptt -75.24 129.16 36.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.614 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.5 -41.9 99.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.45 -38.84 88.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.94 -42.61 99.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.28 -40.43 97.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.324 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.57 -43.75 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.73 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.409 . . . . 0.0 110.653 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.9 -41.07 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.831 0.348 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' 1121 ' ' TYR . 77.2 mt -103.21 27.57 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -149.74 -62.16 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 110.445 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.54 -3.83 80.73 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.21 20.1 74.7 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.18 158.79 83.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.192 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.13 -38.52 66.47 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.558 2.172 . . . . 0.0 112.32 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 CA-C-O 117.948 -1.473 . . . . 0.0 110.965 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.35 138.44 84.41 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.86 2.373 . . . . 0.0 112.058 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 65.2 pttt -70.75 -26.56 63.42 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.181 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 21.6 mtm -88.78 153.15 21.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.299 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.4 p -70.69 157.9 89.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.223 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.07 -40.44 41.37 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.281 1.987 . . . . 0.0 111.886 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -41.28 95.79 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.444 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -64.61 -40.87 96.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.4 mtm -63.89 -40.33 96.25 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.187 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.414 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.439 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.96 -41.8 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.363 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.05 -39.72 94.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.433 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.6 mtt -61.51 -42.38 98.72 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.551 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -61.64 -45.33 94.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -68.02 -40.3 82.95 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.532 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.727 HD11 ' HB3' ' B' 1114 ' ' PHE . 79.0 mt -64.11 -42.54 96.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 48.4 t -64.3 -46.49 83.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -64.63 -40.48 95.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.314 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -72.66 158.91 53.42 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 149.68 46.89 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.565 2.176 . . . . 0.0 112.181 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -143.55 88.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.788 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.466 HG12 ' HG ' ' B' 1073 ' ' LEU . 83.3 t -127.8 122.67 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.667 HD22 ' HE2' ' B' 1076 ' ' LYS . 43.7 mt 46.34 44.1 12.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.367 0.603 . . . . 0.0 111.022 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 92.9 m -60.97 -45.36 95.08 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.784 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1076 ' ' LYS . . . . . 0.667 ' HE2' HD22 ' B' 1073 ' ' LEU . 50.5 mtmt -62.81 -38.52 91.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.45 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.54 94.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.697 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . 60.54 11.73 3.19 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.239 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 70.53 19.15 76.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -48.91 2.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.697 0.284 . . . . 0.0 110.822 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 53.41 57.48 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.21 -38.52 83.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -57.91 130.4 46.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.226 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.7 84.69 6.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.028 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.55 ' HB3' HD21 ' B' 1094 ' ' LEU . 44.0 mt -119.27 -17.71 8.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.764 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 84.9 p -60.7 -20.9 62.18 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -99.5 -1.73 37.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.3 m0 -81.1 139.01 35.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.117 0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -63.5 160.28 16.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.55 -46.59 83.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.75 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.97 -42.53 99.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.55 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.6 mt -64.81 -39.1 93.03 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.489 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -58.88 -49.46 77.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 109.829 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.4 -38.64 91.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.598 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.1 m -60.61 -43.9 96.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.457 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.86 -46.66 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.005 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.74 -38.54 88.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 81.7 p -89.91 -1.68 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.413 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 42.1 t -72.49 123.71 23.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.758 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.3 m -113.06 -2.71 14.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.45 ' HA ' HD12 ' B' 1107 ' ' LEU . 43.4 pt -68.9 -28.0 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.09 -44.48 92.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.103 0.478 . . . . 0.0 110.632 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.598 HD21 ' CG2' ' B' 1097 ' ' THR . 52.3 tp -67.12 -40.4 86.83 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.08 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.45 HD12 ' HA ' ' B' 1104 ' ' ILE . 87.1 mt -60.32 -42.55 95.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.285 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.268 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.45 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.54 -47.96 81.61 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.065 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 27.2 p -72.18 -34.82 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.547 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -60.97 -47.18 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.374 0.607 . . . . 0.0 110.289 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.58 -40.72 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.39 -41.43 93.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.026 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.727 ' HB3' HD11 ' B' 1066 ' ' LEU . 2.7 m-85 -61.07 -44.63 97.09 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.586 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 44.2 m80 -63.88 -42.79 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.28 -42.03 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -64.34 -42.77 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.414 HD21 ' HA ' ' B' 1059 ' ' ALA . 81.6 mt -64.33 -39.64 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.335 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.06 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.0 t -62.25 -42.4 95.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.953 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 71.2 t80 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -46.83 88.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.365 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.661 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.2 t90 -59.66 -46.16 89.87 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 120.843 0.354 . . . . 0.0 110.395 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -56.83 -44.54 82.15 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.631 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 69.9 m -60.13 -38.06 81.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -59.64 -41.62 90.93 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.054 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -101.29 9.16 42.0 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.402 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -127.33 -62.58 1.09 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.98 0.419 . . . . 0.0 110.903 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -69.02 129.89 41.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.3 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.504 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.633 HD12 ' OD2' ' A' ' 49' ' ' ASP . 89.4 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.51 -42.08 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.28 -39.6 93.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.31 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.633 ' OD2' HD12 ' A' ' 46' ' ' ILE . 97.0 m-20 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.54 -42.86 99.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.661 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.06 -39.59 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.452 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.533 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.43 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.62 -42.35 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -98.89 21.42 11.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.998 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.34 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.64 -5.78 81.21 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.53 21.1 76.06 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.78 151.33 91.06 Favored Pre-proline 0 C--N 1.332 -0.189 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.933 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.99 53.37 4.0 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.223 1.949 . . . . 0.0 111.77 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 117.964 -1.465 . . . . 0.0 110.92 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.48 149.2 68.39 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.679 2.252 . . . . 0.0 111.761 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.66 0.75 51.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.654 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.1 mtm -93.11 159.25 15.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 47.5 p -68.72 161.13 73.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.93 -40.85 74.54 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.45 2.1 . . . . 0.0 111.952 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.62 -41.8 87.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.89 -40.12 94.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.64 -41.14 98.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.026 0.441 . . . . 0.0 109.993 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.412 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.85 -40.78 97.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -41.24 97.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.0 -41.82 99.69 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 55' ' ' LEU . 33.7 mtt -64.06 -39.63 94.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -40.15 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.01 -42.53 98.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -65.74 -40.71 92.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.21 0.529 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.47 -40.31 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 46.8 t -61.89 -42.47 99.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.392 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.67 -39.64 92.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.621 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -76.64 179.42 49.14 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.96 140.72 94.91 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.845 2.364 . . . . 0.0 112.168 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -90.88 -7.61 51.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 98.8 t -129.38 108.82 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-O 121.046 0.451 . . . . 0.0 110.122 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.529 ' HB3' HG22 ' B' 1075 ' ' THR . 84.3 mt -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' 1073 ' ' LEU . . . 65.78 35.88 6.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.529 HG22 ' HB3' ' B' 1073 ' ' LEU . 15.0 t -153.67 175.4 13.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.78 95.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 50.41 27.16 2.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.78 97.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.537 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -166.05 117.94 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.516 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -109.92 -17.1 9.9 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 65.7 p -72.1 -20.66 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.685 0.278 . . . . 0.0 110.627 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.81 -40.77 92.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.829 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 57.2 mttm -89.78 -32.52 16.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.342 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -111.82 129.63 56.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.045 0.45 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1085 ' ' ASP . . . . . 0.44 ' O ' HD23 ' B' 1086 ' ' LEU . 66.5 t0 -91.42 97.0 10.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.948 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.655 HD11 ' HB1' ' B' 1109 ' ' ALA . 35.2 mt -127.65 -21.13 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.753 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 48.3 t -59.03 -29.99 67.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.161 0.505 . . . . 0.0 110.211 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -92.09 3.92 54.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.322 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.0 m95 -95.69 132.62 40.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -65.63 161.09 21.2 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 84.9 t80 -57.13 -46.11 82.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.72 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -43.41 98.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.613 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.504 HD13 ' HE1' ' B' 1114 ' ' PHE . 63.2 mt -62.75 -39.37 93.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.261 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -59.94 -48.79 80.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 110.507 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1096 ' ' ASP . . . . . 0.471 ' O ' HG22 ' B' 1100 ' ' THR . 97.9 m-20 -64.13 -38.59 91.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.212 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.3 m -61.61 -46.27 90.55 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.532 HD11 ' HB3' ' B' 1110 ' ' CYS . 97.1 mt -63.34 -48.71 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.013 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1100 ' ' THR . . . . . 0.471 HG22 ' O ' ' B' 1096 ' ' ASP . 3.6 t -89.61 -1.69 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.018 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.495 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -62.2 138.16 58.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.616 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 98.0 m -120.67 18.49 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 37.6 t0 -148.29 149.29 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -70.77 -27.55 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.694 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.16 -46.92 84.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.665 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 45.1 tp -66.41 -40.71 89.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.495 HD21 ' HB3' ' B' 1101 ' ' SER . 85.1 mt -60.95 -43.54 98.55 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.009 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.07 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.655 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -63.27 -44.14 95.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.126 0.488 . . . . 0.0 110.861 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.532 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.0 m -65.81 -40.12 91.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.017 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.52 -41.95 98.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.79 -40.32 88.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.09 -40.95 97.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.504 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.01 -44.64 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.605 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.28 -47.53 85.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.693 0.283 . . . . 0.0 110.63 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.72 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -64.06 -41.46 97.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' 1062 ' ' MET . 73.7 mt -63.89 -40.29 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.41 -45.99 91.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 70.7 t -61.98 -40.18 86.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.058 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.47 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 91.0 t80 -59.05 -47.12 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 56.8 m170 -61.31 -42.44 98.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.92 99.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.325 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.761 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -61.37 -45.51 94.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -62.53 -38.3 89.46 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 72.7 m -62.71 -39.97 95.7 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.243 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -66.47 -47.35 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.146 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.24 -39.68 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.492 . . . . 0.0 111.29 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -71.5 -40.73 69.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.372 0.606 . . . . 0.0 110.411 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -131.78 137.03 48.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.645 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.57 -43.05 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.76 -39.68 92.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.245 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.9 -40.84 98.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.453 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.99 -42.21 98.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.023 0.44 . . . . 0.0 110.511 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -41.67 99.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.458 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.422 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.11 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.61 -41.06 86.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' B' 1062 ' ' MET . 97.4 mt -102.09 27.57 6.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.553 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -150.47 -61.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.105 0.479 . . . . 0.0 110.647 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 -3.32 81.07 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.6 75.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.94 158.12 88.27 Favored Pre-proline 0 N--CA 1.453 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.801 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.0 Cg_endo -71.72 -20.83 25.97 Favored 'Trans proline' 0 C--N 1.302 -1.895 0 C-N-CA 122.544 2.163 . . . . 0.0 112.356 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.029 -1.429 . . . . 0.0 110.749 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.23 143.19 52.53 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.936 2.424 . . . . 0.0 111.911 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -69.27 -25.79 64.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.7 mtm -74.54 144.05 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.66 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 161.05 81.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.39 -43.36 50.07 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.562 2.174 . . . . 0.0 111.927 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.63 -41.27 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.33 -41.29 98.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.19 -41.72 99.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.435 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.97 -40.13 96.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.85 -42.67 99.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.19 -40.41 96.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.414 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.2 mtt -62.88 -41.69 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.446 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.88 -40.96 99.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -61.34 -42.8 99.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -66.67 -40.97 88.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.651 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.27 -39.98 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.9 t -62.03 -44.62 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -61.65 -41.97 98.25 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -85.75 168.59 41.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -70.89 148.16 57.16 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.866 2.377 . . . . 0.0 112.157 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -177.8 27.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.675 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 53.0 t -61.59 -45.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.771 ' O ' HG23 ' B' 1075 ' ' THR . 82.9 mt -63.02 -39.64 95.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 55.87 26.79 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.771 HG23 ' O ' ' B' 1073 ' ' LEU . 44.1 p -127.25 -47.95 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.478 . . . . 0.0 110.66 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 54.7 30.49 13.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.504 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 50.81 24.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 45.87 37.42 3.55 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -148.71 165.72 30.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 101.59 -17.0 55.91 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 5.8 t -109.74 -29.42 8.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.8 0.333 . . . . 0.0 110.429 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.6 -39.37 93.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -108.48 131.05 55.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.04 0.447 . . . . 0.0 110.43 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.08 76.99 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.129 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.662 ' HB3' HD21 ' B' 1094 ' ' LEU . 64.5 mt -105.96 -7.75 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.982 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.5 p -64.0 -16.56 61.89 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -102.04 -12.22 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -73.73 135.54 43.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.796 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.35 160.31 19.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -57.44 -47.04 82.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.038 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.52 94.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.61 -42.83 98.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.412 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.6 mt -63.26 -39.57 94.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.546 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.48 -47.75 84.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.188 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.05 -38.68 91.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.173 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.668 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.0 m -61.46 -44.51 96.97 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.78 -46.84 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.04 -37.12 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 75.0 p -90.86 -1.52 57.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.494 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.7 t -72.33 125.58 27.71 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.037 0.446 . . . . 0.0 110.208 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 87.9 m -108.15 -3.39 18.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.8 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -113.66 141.38 47.29 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 110.573 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.402 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.6 pt -70.11 -26.64 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -47.23 81.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.456 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.668 HD21 ' CG2' ' B' 1097 ' ' THR . 51.6 tp -65.12 -40.84 95.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.255 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' B' 1101 ' ' SER . 81.1 mt -60.41 -42.0 95.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.873 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.56 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.209 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.417 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.57 -43.81 95.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.1 m -66.13 -40.49 90.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.33 -43.1 99.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.41 -40.04 85.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -62.82 -41.06 99.15 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.508 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.489 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.4 m-30 -63.48 -44.78 93.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.382 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.11 -47.32 85.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.618 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -62.78 -43.99 97.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -62.72 -41.97 99.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.435 HD21 ' HA ' ' B' 1059 ' ' ALA . 67.4 mt -63.31 -41.04 98.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.669 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.95 -44.67 96.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.395 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.1 t -62.08 -40.98 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.575 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.1 t80 -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.97 -48.43 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.56 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.623 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 66.6 t90 -58.34 -47.48 83.63 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.69 0.281 . . . . 0.0 110.34 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.8 m -60.95 -40.03 91.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.115 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -65.49 -48.73 71.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -67.23 -39.85 86.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.079 0.466 . . . . 0.0 111.215 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -69.72 -38.41 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.595 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -83.72 120.84 26.5 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.856 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 48' ' ' ASN . 97.6 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' H ' HG22 ' A' ' 46' ' ' ILE . 5.5 m-20 -62.07 -39.45 92.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.551 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.42 -42.69 99.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.52 -42.31 99.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.13 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.689 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.36 -45.06 95.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.04 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HA3' ' A' ' 61' ' ' GLY . 85.1 mt -60.59 -40.78 85.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' B' 1121 ' ' TYR . 81.4 mt -101.62 26.3 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -151.6 -63.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.235 0.54 . . . . 0.0 110.845 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.22 -6.29 88.91 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 20.07 76.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.9 158.74 85.54 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.043 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.2 Cg_endo -72.15 -23.63 21.08 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.483 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.93 -1.483 . . . . 0.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.23 149.15 63.45 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.017 2.478 . . . . 0.0 112.023 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.09 -27.46 65.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 74.5 mtp -59.01 136.84 58.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.0 p -70.31 161.66 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.68 -42.05 58.56 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.018 1.812 . . . . 0.0 111.673 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.73 -40.59 88.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.9 -42.99 97.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.99 -39.7 94.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.8 -42.85 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.602 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.38 -38.14 89.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.492 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.641 ' HB3' HD11 ' B' 1118 ' ' LEU . 0.0 OUTLIER -60.65 -44.47 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 89.9 p -64.36 -37.81 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.213 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.78 -40.75 98.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -67.52 -36.81 81.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.147 0.498 . . . . 0.0 110.141 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.585 HD23 ' HG3' ' B' 1111 ' ' ARG . 88.4 mt -69.96 -40.54 75.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 91.2 p -68.06 -41.79 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.348 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -28.65 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.357 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -95.51 -178.47 36.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -58.31 139.59 91.15 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.935 2.423 . . . . 0.0 111.869 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -147.46 99.77 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 83.2 t -126.23 124.47 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' 1073 ' ' LEU . 46.4 mt -118.15 27.0 9.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.75 69.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.819 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 73.5 p -126.71 170.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.772 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.8 -39.11 87.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.451 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -159.68 118.42 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.43 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1078 ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' 1079 ' ' ALA . . . -72.93 -80.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.664 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1079 ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' B' 1078 ' ' ALA . . . 176.0 -179.31 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 110.573 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 120.18 -61.42 0.5 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1081 ' ' THR . . . . . 0.413 HG22 ' CD ' ' B' 1112 ' ' GLU . 1.4 t -71.91 -20.08 61.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.41 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 62.9 mttp -67.61 -40.48 84.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.176 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -88.6 -32.2 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.521 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -111.49 132.79 54.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.65 77.49 4.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.34 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' 1094 ' ' LEU . 74.7 mt -93.81 -5.57 47.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.7 p -63.89 -16.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 110.377 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -96.52 -8.67 31.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -80.81 135.16 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.31 161.59 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.21 -46.49 79.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.788 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.66 95.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.375 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.95 -43.22 96.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.0 mt -65.27 -39.37 92.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.814 0.34 . . . . 0.0 110.501 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -58.92 -49.46 77.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.813 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.68 -38.55 90.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.701 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.5 m -61.24 -42.96 99.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.406 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.699 HG23 HH12 ' B' 1111 ' ' ARG . 95.1 mt -60.15 -47.47 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -62.02 -38.61 89.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.0 p -89.0 -1.66 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.345 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 39.8 t -71.82 121.17 18.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.109 0.48 . . . . 0.0 110.765 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.8 m -113.98 -2.99 13.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.533 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -113.14 143.13 44.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.4 pt -67.61 -28.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.739 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -44.6 90.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.701 HD21 ' CG2' ' B' 1097 ' ' THR . 59.5 tp -67.16 -40.77 86.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.217 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.64 -42.26 96.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.367 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.7 86.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.064 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.502 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.16 -47.66 83.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.156 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 26.2 p -71.32 -35.75 71.35 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.643 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1111 ' ' ARG . . . . . 0.699 HH12 HG23 ' B' 1098 ' ' ILE . 4.6 mpt_? -63.83 -43.8 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1112 ' ' GLU . . . . . 0.413 ' CD ' HG22 ' B' 1081 ' ' THR . 88.6 tt0 -63.28 -42.93 99.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.253 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.07 -40.53 96.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.537 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -61.68 -44.18 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.786 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.93 -48.7 79.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.759 0.314 . . . . 0.0 111.007 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.96 -44.24 97.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -61.13 -42.14 98.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' 1062 ' ' MET . 76.1 mt -62.89 -41.13 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.327 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.53 -45.33 93.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -60.82 -42.7 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.927 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.429 ' HB2' HD21 ' A' ' 55' ' ' LEU . 84.2 t80 -59.37 -46.89 87.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.69 -47.21 86.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.4 98.84 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 84.8 t90 -61.33 -46.68 89.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.938 0.399 . . . . 0.0 110.409 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -61.75 -38.71 88.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.525 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.7 m -61.9 -41.22 97.65 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.033 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -65.44 -45.56 83.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -71.81 -39.68 69.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.45 . . . . 0.0 111.751 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.72 -40.84 65.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.565 0.697 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -134.48 147.09 50.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.589 179.79 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.565 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.81 -39.84 93.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -40.59 96.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.69 -42.25 99.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.85 -39.86 95.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.75 -43.95 97.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.73 -42.03 87.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' 1121 ' ' TYR . 83.9 mt -100.32 21.53 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.649 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -144.17 -62.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.081 0.467 . . . . 0.0 110.796 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.42 -3.3 84.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.537 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 20.62 77.29 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.86 159.9 84.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.806 0.336 . . . . 0.0 111.036 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.0 Cg_endo -72.28 -20.0 24.99 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.342 2.028 . . . . 0.0 112.139 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.864 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.91 159.52 47.95 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.021 2.48 . . . . 0.0 111.932 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.95 -3.92 50.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.85 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.3 mtm -62.68 147.06 50.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 49.6 p -68.61 162.22 64.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.24 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.63 -42.5 61.87 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.242 1.962 . . . . 0.0 111.948 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -68.46 -36.68 79.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -63.24 -42.86 99.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.185 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.27 -39.81 94.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.806 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.518 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.1 -40.06 94.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.728 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.38 -42.74 99.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.65 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.698 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.645 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.3 t -62.85 -43.07 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -41.12 97.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.69 -40.58 88.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.455 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.77 -41.32 97.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.6 m -65.34 -41.2 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.68 -40.57 97.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.949 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -114.2 75.23 0.24 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.06 149.85 59.33 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.749 2.3 . . . . 0.0 112.213 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.502 ' HB1' ' HG ' ' B' 1073 ' ' LEU . . . -62.01 -40.96 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.487 ' O ' HG12 ' B' 1072 ' ' VAL . 8.9 t 46.97 30.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.657 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.56 ' O ' HG22 ' B' 1075 ' ' THR . 86.7 mt -63.1 -40.82 98.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 47.96 28.52 1.44 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.75 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.56 HG22 ' O ' ' B' 1073 ' ' LEU . 8.9 t -158.0 176.37 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.757 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -99.09 4.38 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.06 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -60.47 146.96 42.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.812 0.339 . . . . 0.0 110.606 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -145.74 97.62 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.08 90.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 93.7 19.34 34.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1081 ' ' THR . . . . . 0.592 HG21 ' HG2' ' B' 1105 ' ' GLU . 76.4 p -67.21 -26.34 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.431 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.59 -12.29 31.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -55.39 -18.91 7.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -58.42 137.3 57.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.266 0.555 . . . . 0.0 110.09 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.1 t0 -87.34 78.22 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.481 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.483 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.8 mt -99.14 2.8 46.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 94.9 p -68.93 -11.48 60.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -94.35 -11.15 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.779 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -82.34 136.02 35.08 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.079 0.466 . . . . 0.0 110.7 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.8 158.39 21.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.637 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 66.6 t80 -56.35 -46.88 79.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.804 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.22 -43.26 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.679 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.8 mt -64.22 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.389 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.92 -47.65 84.92 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.131 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 64.5 t0 -65.03 -39.76 93.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.172 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.517 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.5 m -60.01 -44.94 94.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.58 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.452 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.6 mt -61.73 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.12 -38.87 87.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.024 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.8 t -91.58 -2.38 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.233 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.57 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.3 t -67.6 134.6 51.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.466 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.1 m -114.65 -5.04 12.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.574 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.68 140.28 48.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.448 ' HA ' HD12 ' B' 1107 ' ' LEU . 47.2 pt -69.43 -26.96 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.692 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1105 ' ' GLU . . . . . 0.592 ' HG2' HG21 ' B' 1081 ' ' THR . 98.8 mt-10 -63.44 -46.45 86.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.231 0.539 . . . . 0.0 110.599 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.517 HD21 ' CG2' ' B' 1097 ' ' THR . 48.5 tp -66.2 -39.88 89.96 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.059 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' 1101 ' ' SER . 85.2 mt -60.44 -42.73 96.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.853 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.75 88.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.278 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.74 96.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.452 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.9 m -66.64 -40.76 88.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.45 -42.2 99.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.06 -40.49 94.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.34 -42.58 91.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.272 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -64.72 -41.16 96.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.26 -47.93 83.89 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.305 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -64.79 -42.05 95.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.002 0.429 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -63.21 -40.71 98.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.736 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -62.95 -40.7 98.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.189 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.0 t -63.5 -41.72 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.0 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.261 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.47 -48.34 82.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.07 99.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.628 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.5 t90 -59.88 -44.66 94.07 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 122.066 -0.396 . . . . 0.0 110.536 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -58.59 -46.51 86.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.833 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 96.9 p -59.23 -33.78 71.41 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.515 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -63.17 -44.24 96.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.948 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 10.7 p30 -99.12 8.99 44.37 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.669 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -127.5 -63.86 1.01 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.516 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -75.36 143.24 42.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.869 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -41.35 97.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.482 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.32 -40.12 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.27 -40.64 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.74 -42.81 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.67 -40.1 96.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.406 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.33 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.508 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.56 90.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.694 HD11 ' HA3' ' A' ' 61' ' ' GLY . 86.3 mt -59.48 -42.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.962 0.41 . . . . 0.0 110.744 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -101.52 26.48 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -147.67 -62.14 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.062 0.458 . . . . 0.0 110.526 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.01 -3.66 79.35 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.21 22.27 78.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.15 160.01 83.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.5 Cg_endo -72.39 -19.89 24.75 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.442 2.095 . . . . 0.0 112.43 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.694 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.008 -1.44 . . . . 0.0 110.76 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.95 147.6 92.15 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.135 2.557 . . . . 0.0 112.038 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 26.3 pttm -62.61 -24.23 67.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.999 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1053 ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' B' 1053 ' ' MET . 82.0 mtp -65.87 141.81 58.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.714 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 68.3 p -71.95 160.48 82.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.379 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.36 -44.35 43.9 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.259 1.973 . . . . 0.0 111.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1056 ' ' GLU . . . . . 0.42 ' CD ' ' HH ' ' B' 1121 ' ' TYR . 72.9 mm-40 -68.0 -39.33 83.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.4 -45.49 94.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -62.6 -40.22 96.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.955 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.44 -41.59 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.764 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.71 98.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.795 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.608 ' HB3' HD11 ' B' 1118 ' ' LEU . 37.6 mtt -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.335 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.694 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -41.35 94.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.96 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 0.0 110.362 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.85 -40.29 94.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.386 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.5 t -61.79 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.69 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -83.38 -174.93 50.72 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.47 145.6 59.31 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -87.8 -7.63 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 94.6 t -118.17 118.29 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 84.3 mt -123.13 15.6 9.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.72 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.628 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 70.6 p -64.84 -45.22 87.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 8.8 mptt -64.8 -39.75 94.11 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.741 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.56 99.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.32 86.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.56 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.136 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 106.83 19.7 9.44 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 67.1 p -68.94 -29.12 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 110.522 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.14 -13.33 57.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.078 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -54.99 -19.64 7.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.929 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.92 134.86 54.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -91.9 76.45 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' B' 1094 ' ' LEU . 69.1 mt -98.35 -6.46 30.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.2 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.374 . . . . 0.0 110.598 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -89.67 -8.66 51.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.93 139.54 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.94 159.59 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.89 -47.9 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.835 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.98 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.765 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.64 -43.17 97.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' 1086 ' ' LEU . 55.4 mt -65.37 -39.55 92.42 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.672 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.97 -47.14 87.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.748 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.89 -39.6 93.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.077 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.7 m -59.93 -44.68 94.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.569 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.66 -46.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.31 -38.78 88.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.07 -3.1 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.608 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.6 t -65.96 135.95 55.41 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.919 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 83.9 m -116.09 -4.65 11.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.552 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -115.36 139.55 49.9 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.452 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -69.79 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.41 -46.19 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.22 -40.08 90.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.608 HD21 ' HB3' ' B' 1101 ' ' SER . 80.0 mt -60.68 -43.32 97.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.711 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.14 88.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.369 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.73 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.417 ' SG ' HD13 ' B' 1086 ' ' LEU . 90.7 m -65.93 -41.09 91.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -61.87 -44.34 97.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.8 -39.59 91.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.542 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.15 -39.18 93.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.009 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.503 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.18 -41.0 97.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.413 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.05 -47.03 87.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.098 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -60.84 -45.7 93.47 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.965 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -60.57 -42.57 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' B' 1062 ' ' MET . 78.7 mt -64.06 -39.63 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.37 -48.04 83.45 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.619 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 56.9 t -62.25 -40.92 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.019 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.537 ' CG ' HD11 ' A' ' 55' ' ' LEU . 81.9 t80 -58.32 -47.54 83.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.38 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.28 -45.79 92.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.176 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.29 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -60.31 -46.37 90.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.723 0.296 . . . . 0.0 110.332 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1125 ' ' LYS . . . . . 0.408 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 67.2 mmtt -61.89 -38.77 89.57 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 47.8 t -61.66 -42.23 98.63 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.76 -45.16 87.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.449 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -71.04 -39.54 72.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.709 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -72.37 -40.41 67.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.693 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -130.5 138.64 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.696 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.2 mt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -61.58 -38.86 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.39 -44.03 97.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -41.94 98.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.596 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -40.0 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.13 -43.65 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.345 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.64 96.61 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.81 -41.59 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.62 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' B' 1121 ' ' TYR . 94.2 mt -102.15 27.93 6.25 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -156.91 -61.92 0.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.072 0.463 . . . . 0.0 110.438 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.34 -10.6 84.45 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.35 76.96 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.6 146.29 85.77 Favored Pre-proline 0 N--CA 1.455 -0.204 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.065 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -82.95 50.25 3.31 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.044 1.829 . . . . 0.0 112.204 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.799 179.776 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.82 139.44 33.48 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.673 2.248 . . . . 0.0 111.896 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.95 -7.05 53.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.819 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 14.1 mtm -71.77 145.07 48.97 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.768 0.318 . . . . 0.0 110.573 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 33.4 p -69.35 160.89 77.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.86 -42.39 57.97 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.26 1.973 . . . . 0.0 111.943 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.34 -42.23 88.43 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.836 0.351 . . . . 0.0 110.485 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.66 -42.53 98.07 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.26 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.376 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.423 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.43 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.99 -42.7 99.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.59 -40.33 96.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.621 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.49 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.7 mtt -62.74 -41.53 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.666 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 95.2 p -64.57 -38.3 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.35 -43.0 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 110.548 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.416 HD21 ' O ' ' B' 1111 ' ' ARG . 79.8 mt -64.24 -40.72 96.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.546 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 48.2 t -62.8 -43.67 98.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -62.08 -40.16 94.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.459 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -79.99 161.94 46.09 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.96 146.88 42.58 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -100.97 -30.42 11.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.9 t -62.25 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.724 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.17 -25.67 66.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.79 -28.4 65.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 82.6 p -58.12 -64.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.19 -31.17 72.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.909 ' HB1' ' HB1' ' B' 1108 ' ' ALA . . . -63.52 -24.88 68.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.733 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -58.1 -35.85 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.447 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -83.71 -29.79 31.32 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1081 ' ' THR . . . . . 0.841 HG23 ' O ' ' B' 1077 ' ' ALA . 65.3 p -63.07 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.12 -41.23 98.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.91 -38.46 88.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.16 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1084 ' ' TYR . . . . . 0.445 ' HD1' ' HB2' ' B' 1109 ' ' ALA . 9.4 m-85 -83.82 110.96 18.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.755 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.61 94.93 9.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.335 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.569 ' HB3' HD21 ' B' 1094 ' ' LEU . 26.7 mt -113.75 2.52 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -67.06 -14.04 62.51 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.99 0.424 . . . . 0.0 110.423 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -94.37 -8.15 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.5 m0 -84.92 133.21 34.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.36 161.24 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.36 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.792 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.41 95.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.823 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.51 -44.01 95.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.569 HD21 ' HB3' ' B' 1086 ' ' LEU . 74.6 mt -64.51 -39.99 94.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.38 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.15 -48.25 82.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.071 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.26 -38.61 90.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.383 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.8 m -61.01 -44.91 96.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.634 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.6 mt -62.18 -46.37 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.39 -38.54 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.3 t -91.53 -3.56 56.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.443 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.5 t -65.07 134.25 53.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.546 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -117.26 2.5 12.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.65 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -119.7 135.79 54.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.436 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.9 tt -61.93 -34.99 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.25 -44.55 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.383 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.33 -40.91 96.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 110.212 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.443 HD21 ' HB3' ' B' 1101 ' ' SER . 74.0 mt -60.77 -42.75 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.825 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1108 ' ' ALA . . . . . 0.909 ' HB1' ' HB1' ' B' 1077 ' ' ALA . . . -64.97 -34.69 79.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.282 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.656 ' HA ' HG22 ' B' 1081 ' ' THR . . . -62.17 -44.84 95.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.726 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.634 ' HB3' HD11 ' B' 1098 ' ' ILE . 94.8 m -68.82 -39.9 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1111 ' ' ARG . . . . . 0.416 ' O ' HD21 ' B' 1066 ' ' LEU . 98.3 mtt180 -61.9 -42.97 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1112 ' ' GLU . . . . . 0.623 ' HB2' HG21 ' B' 1081 ' ' THR . 52.3 tp10 -65.25 -42.2 93.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.284 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -61.31 -41.23 96.66 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.76 -44.04 97.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.89 -47.84 84.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 0.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -63.16 -42.05 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.401 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -63.51 -41.44 98.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.73 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' 1062 ' ' MET . 69.6 mt -62.74 -40.11 96.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -60.66 -46.02 91.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.526 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 71.7 t -62.51 -40.74 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 55' ' ' LEU . 87.2 t80 -58.96 -48.07 82.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.372 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.73 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.64 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.713 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.6 t90 -60.61 -46.73 89.16 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.743 0.306 . . . . 0.0 110.476 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.21 -37.88 87.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 71.0 m -62.01 -39.97 94.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.109 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -68.44 -44.73 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.967 0.413 . . . . 0.0 111.024 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.54 -39.5 77.41 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -73.28 -42.08 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -134.89 148.06 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.22 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.512 179.735 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.13 -42.78 99.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -61.31 -39.65 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.92 -41.64 98.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.64 -42.57 99.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.531 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.41 -40.19 95.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.448 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.24 -44.24 97.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.96 92.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.67 -40.82 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.718 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' B' 1121 ' ' TYR . 94.6 mt -101.13 25.4 8.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -148.9 -63.26 0.23 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.461 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.86 -5.64 86.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.25 20.2 77.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.8 161.0 81.5 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.775 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.3 Cg_endo -72.18 -21.76 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.617 2.211 . . . . 0.0 112.206 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.816 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.21 -35.33 25.01 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.718 2.279 . . . . 0.0 112.26 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -122.66 -64.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.65 -172.52 4.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.845 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 44.4 p -72.75 160.92 81.66 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 -39.44 87.64 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.478 2.119 . . . . 0.0 111.929 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.78 -40.1 95.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.84 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.2 -41.58 99.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.146 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.452 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.8 -42.59 97.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.427 ' CE ' HD22 ' A' ' 55' ' ' LEU . 77.5 mtm -65.53 -40.04 92.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.673 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.49 -43.59 98.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.41 -40.57 96.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -66.55 -39.12 88.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.399 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.633 ' O ' HG21 ' B' 1072 ' ' VAL . 78.3 mt -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.63 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.7 t -63.12 -45.98 89.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.605 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.91 -40.67 97.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -45.77 102.9 0.05 OUTLIER Glycine 0 CA--C 1.535 1.312 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.43 -34.5 97.34 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.047 1.831 . . . . 0.0 112.129 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.576 ' HB3' ' NH1' ' B' 1111 ' ' ARG . . . -60.87 -22.18 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.073 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.633 HG21 ' O ' ' B' 1066 ' ' LEU . 78.2 t -60.26 -42.87 92.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.3 mt 57.47 19.05 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.592 ' H ' HG12 ' B' 1072 ' ' VAL . . . 50.37 30.45 4.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.709 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 4.1 t -130.67 -31.12 1.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1076 ' ' LYS . . . . . 0.451 ' NZ ' HG22 ' B' 1072 ' ' VAL . 25.4 mmtm 57.48 55.84 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.721 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -59.58 148.2 34.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -81.87 64.56 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.07 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.496 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 105.36 9.07 34.42 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 70.0 p -68.85 -25.79 64.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.212 0.53 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.5 pttt -61.67 -11.59 12.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.3 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 65.1 pttt -50.37 -22.4 1.83 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.613 0.244 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1084 ' ' TYR . . . . . 0.487 ' HD1' ' HB2' ' B' 1109 ' ' ALA . 56.3 m-85 -68.14 139.5 56.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.976 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.8 t0 -88.79 76.72 7.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.687 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.565 ' HB3' HD21 ' B' 1094 ' ' LEU . 76.7 mt -101.36 0.52 37.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.007 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 97.7 p -65.53 -15.48 62.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -91.79 -10.88 38.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -83.17 134.96 34.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.998 0.428 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -63.47 160.78 15.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.684 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.3 -47.21 82.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.82 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.528 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.73 -43.1 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.565 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.5 mt -65.56 -39.29 91.52 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.273 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -59.57 -48.71 80.6 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.889 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.51 -38.68 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.988 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.2 m -60.12 -45.21 93.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.513 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.609 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.5 mt -62.08 -47.21 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.013 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -61.88 -39.22 91.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 5.6 t -89.86 -2.09 58.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.435 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.5 t -61.46 137.42 58.24 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 110.599 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 76.0 m -120.84 19.32 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 33.0 t0 -147.97 149.41 32.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.74 -28.1 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.73 -45.45 89.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 52.5 tp -67.48 -40.84 85.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.356 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' 1101 ' ' SER . 81.6 mt -60.59 -44.07 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.863 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.07 74.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.239 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.487 ' HB2' ' HD1' ' B' 1084 ' ' TYR . . . -62.12 -44.14 97.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.745 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.609 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.0 m -68.59 -40.1 80.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1111 ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' B' 1071 ' ' ALA . 99.3 mtt180 -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.274 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.05 -40.38 94.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.44 -40.97 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.049 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.63 -40.74 92.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.796 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.4 -47.68 85.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.346 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -65.04 -42.35 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -63.79 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.452 HD21 ' HA ' ' B' 1059 ' ' ALA . 74.0 mt -63.9 -40.83 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -44.99 95.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.866 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.7 t -63.44 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.009 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.686 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.5 t80 -59.68 -47.4 85.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.954 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 61.0 m170 -63.15 -42.49 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.365 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.12 98.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.712 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.9 t90 -60.12 -45.57 92.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.777 0.323 . . . . 0.0 110.449 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1125 ' ' LYS . . . . . 0.447 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 70.6 mmtt -58.46 -40.22 82.05 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.354 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 52.4 p -65.99 -31.72 72.78 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.26 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.82 -46.18 89.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -84.76 -37.47 20.81 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.569 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.338 0.59 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -126.06 137.82 53.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.613 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 48' ' ' ASN . 97.7 mt . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.24 -42.44 99.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.563 ' H ' HG22 ' A' ' 46' ' ' ILE . 25.8 m120 -62.91 -39.5 94.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.066 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.41 -40.55 96.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.33 -42.74 98.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.36 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.43 97.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -61.5 -44.26 97.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.79 90.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.046 0.45 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.439 HG21 ' HA ' ' B' 1121 ' ' TYR . 82.8 mt -59.47 -42.25 87.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' B' 1121 ' ' TYR . 85.5 mt -101.34 23.75 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.564 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -143.98 -61.42 0.39 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.147 0.499 . . . . 0.0 110.423 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.3 -3.41 75.53 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 21.16 77.45 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.94 159.06 86.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.675 0.274 . . . . 0.0 111.014 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.8 Cg_endo -70.89 -19.16 31.07 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.239 1.959 . . . . 0.0 112.256 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 117.951 -1.472 . . . . 0.0 110.834 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.22 153.67 61.97 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.037 2.492 . . . . 0.0 111.934 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 63.0 mttp -85.79 -5.88 59.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.957 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.99 143.84 54.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.624 0.25 . . . . 0.0 110.851 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.9 p -68.25 161.14 71.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.446 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.97 -42.5 66.26 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.024 1.816 . . . . 0.0 111.693 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.48 -40.02 89.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -63.83 -42.38 97.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.576 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.35 -40.42 95.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.118 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.65 98.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.592 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.46 96.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1062 ' ' MET . . . . . 0.538 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -62.11 -42.72 99.51 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.593 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.2 t -63.21 -42.71 99.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -41.24 96.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.73 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -65.99 -39.68 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.085 0.469 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.658 HD13 ' NE2' ' B' 1115 ' ' HIS . 74.8 mt -63.59 -41.39 98.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 93.3 p -66.1 -39.33 89.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -63.77 -40.21 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.01 153.44 51.22 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1070 ' ' PRO . . . . . 0.591 ' HD2' HD12 ' B' 1073 ' ' LEU . 58.6 Cg_endo -72.79 141.84 34.48 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.35 2.034 . . . . 0.0 112.333 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.569 ' O ' HG23 ' B' 1075 ' ' THR . . . -62.55 -20.71 64.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.9 t -59.83 -42.04 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.334 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.591 HD12 ' HD2' ' B' 1070 ' ' PRO . 81.3 mt -64.19 -40.13 95.44 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.76 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.46 91.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.569 HG23 ' O ' ' B' 1071 ' ' ALA . 72.7 p -67.61 -41.38 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.025 0.44 . . . . 0.0 110.616 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.82 -40.13 96.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.431 ' HB2' ' HB1' ' B' 1108 ' ' ALA . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.13 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.15 74.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.29 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 114.03 37.52 1.24 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 74.3 p -95.21 21.98 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 110.295 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.64 -75.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.717 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.06 20.17 11.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -104.65 130.1 52.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.346 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 60.8 t0 -89.55 84.11 6.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.259 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.593 ' HB3' HD21 ' B' 1094 ' ' LEU . 65.4 mt -98.78 5.99 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 98.1 p -66.55 -14.66 62.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -93.12 -8.91 41.29 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.89 136.41 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 58.4 mttp -62.58 160.67 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -57.72 -47.98 80.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.669 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.81 94.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.741 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.4 -43.15 98.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.732 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.593 HD21 ' HB3' ' B' 1086 ' ' LEU . 65.1 mt -65.13 -39.5 93.12 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.16 -48.01 83.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.8 t0 -64.94 -39.56 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.519 ' CG2' HD21 ' B' 1106 ' ' LEU . 91.9 m -60.23 -45.37 93.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1098 ' ' ILE . . . . . 0.602 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.9 mt -61.97 -46.78 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -61.13 -38.8 87.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.0 t -91.25 -2.94 57.34 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.51 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.8 t -65.82 136.04 55.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.86 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 16.7 p -116.31 -8.15 11.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.39 139.54 44.22 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' B' 1107 ' ' LEU . 42.2 pt -69.64 -27.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.88 -45.4 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.213 0.53 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.519 HD21 ' CG2' ' B' 1097 ' ' THR . 47.0 tp -66.53 -40.11 88.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.244 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' 1101 ' ' SER . 78.8 mt -60.47 -43.02 97.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.01 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1108 ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' B' 1077 ' ' ALA . . . -63.69 -37.47 87.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.184 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1110 ' ' CYS . . . . . 0.602 ' HB3' HD11 ' B' 1098 ' ' ILE . 89.6 m -65.28 -41.48 94.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -60.51 -45.51 93.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.359 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.13 -39.76 86.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.649 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.93 -39.96 96.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.182 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.426 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.71 -41.07 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.249 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.658 ' NE2' HD13 ' B' 1066 ' ' LEU . 20.4 m170 -62.02 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.373 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.45 -45.28 91.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.346 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -63.33 -42.48 98.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.178 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.538 HD11 ' HB3' ' B' 1062 ' ' MET . 80.9 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.96 -45.15 95.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.923 0.392 . . . . 0.0 110.652 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.6 t -63.28 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.067 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.529 ' CD1' HD11 ' A' ' 55' ' ' LEU . 82.3 t80 -58.87 -48.58 80.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.31 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.65 -47.22 87.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.382 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.05 88.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.828 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 63.5 t90 -60.83 -45.74 93.3 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.285 0.564 . . . . 0.0 110.562 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.97 -40.08 87.86 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.282 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 82.5 p -77.62 -17.08 58.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -76.58 -33.85 58.46 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 7.3 p30 -101.02 -19.7 15.71 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.502 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -100.28 -42.54 6.62 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -108.53 177.92 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.022 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.558 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.09 -41.66 98.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -62.03 -39.54 92.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.38 -39.73 95.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.5 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.94 -43.07 99.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.12 -39.74 94.7 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.546 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.02 -43.88 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.448 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.39 97.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.073 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.83 -42.54 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' 1121 ' ' TYR . 86.9 mt -100.48 27.22 5.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -155.69 -61.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.81 -8.7 87.63 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.51 78.01 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.33 158.42 85.36 Favored Pre-proline 0 C--O 1.225 -0.189 0 CA-C-O 120.908 0.385 . . . . 0.0 111.305 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.7 Cg_endo -72.77 -21.97 20.91 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.189 1.926 . . . . 0.0 112.297 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 118.002 -1.444 . . . . 0.0 110.745 -179.831 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 147.63 52.27 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 111.972 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.81 -8.39 58.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.815 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.2 mtm -90.5 163.56 14.58 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.3 p -70.52 161.01 79.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -40.47 81.91 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.269 1.979 . . . . 0.0 111.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.23 -42.35 88.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.95 -39.72 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 7.3 mtp -61.6 -42.01 98.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.97 0.414 . . . . 0.0 110.028 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1059 ' ' ALA . . . . . 0.53 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.7 -41.12 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.716 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.11 -41.26 98.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.409 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.73 -41.66 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.494 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -63.14 -40.79 98.59 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 70.9 m -63.29 -40.95 98.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.62 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.63 -41.52 99.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.97 -39.4 93.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1066 ' ' LEU . . . . . 0.808 HD13 ' CE1' ' B' 1115 ' ' HIS . 82.4 mt -63.01 -41.88 99.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.0 m -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -61.72 -39.56 91.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -59.36 147.46 42.33 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.3 119.64 5.04 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.665 2.244 . . . . 0.0 112.253 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1071 ' ' ALA . . . . . 0.859 ' HB1' ' HB3' ' B' 1074 ' ' ALA . . . 43.42 52.13 5.95 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.589 0.555 . . . . 0.0 110.792 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1072 ' ' VAL . . . . . 0.507 HG21 ' O ' ' B' 1066 ' ' LEU . 66.9 t -60.33 -45.37 96.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.352 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1073 ' ' LEU . . . . . 0.648 HD21 ' CE1' ' B' 1115 ' ' HIS . 87.9 mt -96.45 -26.07 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.711 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1074 ' ' ALA . . . . . 0.859 ' HB3' ' HB1' ' B' 1071 ' ' ALA . . . -60.8 -37.61 82.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1075 ' ' THR . . . . . 0.466 HG23 ' N ' ' B' 1077 ' ' ALA . 0.7 OUTLIER -66.88 -27.33 67.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.523 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 52.34 46.44 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.747 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1077 ' ' ALA . . . . . 0.466 ' N ' HG23 ' B' 1075 ' ' THR . . . -61.71 -41.68 97.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.571 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 48.47 27.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -155.42 153.17 29.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.593 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 150.12 -39.32 0.88 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 81.2 p -78.02 -14.96 59.32 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.791 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -69.94 -40.72 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.837 0.351 . . . . 0.0 110.718 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -88.33 -29.33 20.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -114.4 131.23 56.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.781 0.324 . . . . 0.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -89.65 77.49 7.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.194 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1086 ' ' LEU . . . . . 0.676 ' HB3' HD21 ' B' 1094 ' ' LEU . 70.2 mt -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 56.8 p -64.06 -20.24 65.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -103.88 -2.13 26.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.06 131.51 35.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.88 163.13 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.52 -46.3 83.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.856 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.11 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -42.87 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1094 ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' 1086 ' ' LEU . 68.0 mt -65.45 -37.97 88.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -59.24 -46.58 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.45 -38.33 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.954 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1097 ' ' THR . . . . . 0.678 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -61.33 -43.75 98.34 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.91 -47.31 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -62.76 -37.71 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.6 p -89.6 -1.28 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1101 ' ' SER . . . . . 0.668 ' OG ' HD21 ' B' 1107 ' ' LEU . 60.1 p -59.37 127.29 31.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.469 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.6 p -121.95 -7.73 8.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.357 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -122.93 150.78 42.5 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1104 ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' 1107 ' ' LEU . 41.7 pt -69.75 -28.66 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.07 -44.66 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.273 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1106 ' ' LEU . . . . . 0.678 HD21 ' CG2' ' B' 1097 ' ' THR . 59.2 tp -65.36 -41.01 94.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.45 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1107 ' ' LEU . . . . . 0.668 HD21 ' OG ' ' B' 1101 ' ' SER . 56.3 mt -60.68 -41.4 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.535 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.67 77.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1109 ' ' ALA . . . . . 0.517 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.91 -49.44 72.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.769 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 23.3 p -69.84 -40.48 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.02 -42.12 99.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.418 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.88 -41.2 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.45 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.9 -40.51 93.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1114 ' ' PHE . . . . . 0.413 ' HE2' HD13 ' B' 1094 ' ' LEU . 10.4 m-30 -63.86 -42.5 97.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1115 ' ' HIS . . . . . 0.808 ' CE1' HD13 ' B' 1066 ' ' LEU . 75.3 m-70 -62.74 -44.62 95.75 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.923 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.96 -43.28 88.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1117 ' ' ARG . . . . . 0.418 ' HB3' HD23 ' A' ' 55' ' ' LEU . 89.8 mtt180 -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.128 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1118 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -64.08 -40.36 96.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.618 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.81 -45.01 95.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.799 0.333 . . . . 0.0 110.407 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.1 t -62.62 -41.11 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1121 ' ' TYR . . . . . 0.502 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 93.0 t80 -58.45 -46.9 85.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.13 -48.52 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1124 ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 80.9 t90 -61.04 -45.44 94.79 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.142 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -62.27 -38.73 90.44 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.6 m -62.08 -40.54 96.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -65.76 -44.86 84.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.937 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -70.77 -39.58 73.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.6 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.92 -40.78 68.53 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.447 0.642 . . . . 0.0 110.212 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -136.23 145.76 46.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.567 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.164 179.707 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.27 -42.03 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.122 0.486 . . . . 0.0 110.53 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.72 -38.78 89.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.248 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.26 -41.95 98.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.258 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.13 -42.38 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.51 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.534 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.53 -43.98 97.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.73 91.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.323 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.47 -40.6 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' CG ' ' B' 1121 ' ' TYR . 86.0 mt -103.5 25.79 9.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -149.62 -61.68 0.22 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.076 0.465 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.93 -3.71 85.28 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.02 77.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.58 157.81 89.11 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.983 0.42 . . . . 0.0 111.167 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 58.7 Cg_endo -73.42 -20.79 20.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.41 2.074 . . . . 0.0 112.276 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.772 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.5 mtm . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.731 0.301 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 46.9 p -68.72 160.09 78.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -51.66 -42.68 55.28 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.256 1.971 . . . . 0.0 111.851 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.3 -40.75 86.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.627 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -63.36 -42.99 98.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.73 -40.17 96.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.036 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -61.74 -42.48 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.628 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.65 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.1 mtt -61.76 -42.12 98.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.0 t -62.98 -42.67 99.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.719 HD11 ' HB1' ' B' 1109 ' ' ALA . 24.0 mt . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.636 0.255 . . . . 0.0 110.602 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 91.3 p -63.03 -17.82 62.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.908 0.385 . . . . 0.0 110.252 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -91.22 -7.6 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -86.93 133.31 33.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.012 0.434 . . . . 0.0 110.534 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.8 160.37 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.824 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.2 -47.13 82.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.969 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.58 94.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.661 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.425 HD13 ' HE1' ' B' 1114 ' ' PHE . 74.0 mt -64.93 -39.84 94.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.541 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -60.06 -47.31 86.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.969 0.414 . . . . 0.0 110.18 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 60.3 t0 -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.281 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.576 HG22 HD21 ' B' 1106 ' ' LEU . 95.0 m -60.66 -44.97 95.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.748 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.01 -46.74 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.96 -38.21 87.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 67.8 p -90.69 -1.88 57.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.497 ' OG ' HD22 ' B' 1106 ' ' LEU . 45.1 t -66.3 127.12 30.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.595 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -113.03 3.15 16.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.883 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -119.18 136.8 54.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.633 0.254 . . . . 0.0 110.471 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.511 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.1 tt -64.37 -36.26 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.246 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' 1104 ' ' ILE . 98.4 mt-10 -62.05 -43.8 98.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.363 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.576 HD21 HG22 ' B' 1097 ' ' THR . 7.7 tt -65.4 -39.37 92.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.304 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' 1104 ' ' ILE . 70.1 mt -60.61 -43.23 97.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.826 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.73 88.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.719 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -62.2 -43.57 98.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.806 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.9 m -66.1 -40.23 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.166 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.6 -41.21 97.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.314 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -64.09 -42.1 97.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.593 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.81 -40.75 97.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.425 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.5 m-30 -63.38 -44.16 95.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.737 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -62.2 -46.96 86.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -63.58 -42.55 98.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.88 -42.4 97.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' 1062 ' ' MET . 74.8 mt -63.92 -40.2 95.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.769 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.0 tptt -61.23 -45.63 93.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.7 t -62.96 -40.97 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.034 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.497 ' CD1' HD11 ' A' ' 55' ' ' LEU . 90.8 t80 -59.13 -47.3 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.35 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -61.31 -42.66 99.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.849 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.8 t90 -60.71 -45.55 93.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.022 0.439 . . . . 0.0 110.538 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -61.31 -36.93 81.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.314 -0.978 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.066 179.569 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 121.013 0.435 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.59 -39.97 93.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.121 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.21 -39.75 93.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.04 -44.05 97.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.85 -44.33 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.83 -41.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.754 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' B' 1121 ' ' TYR . 89.6 mt -102.0 26.11 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.578 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -148.78 -61.36 0.24 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.014 0.435 . . . . 0.0 110.421 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.69 -3.36 80.78 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.4 22.1 76.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.32 159.13 86.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.898 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.87 -23.66 21.97 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.364 2.043 . . . . 0.0 112.25 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.883 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.818 -179.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.932 0.396 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.1 p -71.42 161.97 75.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.653 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.17 -43.35 53.85 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 121.973 1.782 . . . . 0.0 111.702 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.19 -40.92 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.515 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -64.34 -41.01 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.35 -40.77 98.21 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.408 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.78 -41.61 99.33 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.66 -41.95 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.72 -39.89 94.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.65 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.444 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -63.01 -41.81 99.65 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.51 -42.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.419 -179.38 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.663 ' HB3' HD21 ' B' 1094 ' ' LEU . 45.1 mt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.583 0.23 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -68.81 -10.75 58.53 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.261 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -98.34 -9.94 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.03 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -82.15 136.25 35.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.021 0.438 . . . . 0.0 110.914 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.66 160.06 14.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.952 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.8 t80 -57.15 -47.02 82.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.645 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.61 91.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.412 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.88 -43.3 96.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.5 mt -66.01 -39.54 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.2 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.15 -48.18 82.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.812 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . 0.418 ' O ' HG22 ' B' 1100 ' ' THR . 58.9 t0 -64.75 -39.71 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.07 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.619 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.2 m -60.34 -44.02 95.89 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.669 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.421 HG23 ' CD2' ' B' 1107 ' ' LEU . 94.9 mt -61.72 -47.31 93.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 0.0 111.036 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -62.28 -38.83 90.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . 0.418 HG22 ' O ' ' B' 1096 ' ' ASP . 9.7 t -90.66 -0.79 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.528 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.71 ' OG ' HD21 ' B' 1107 ' ' LEU . 80.4 p -62.86 152.41 36.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.234 0.54 . . . . 0.0 110.796 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 19.5 p -129.72 -4.69 4.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.05 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -126.21 140.99 52.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.124 0.488 . . . . 0.0 111.272 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.429 ' HA ' HD12 ' B' 1107 ' ' LEU . 48.1 pt -68.52 -25.44 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.02 -46.31 88.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.619 HD21 ' CG2' ' B' 1097 ' ' THR . 56.4 tp -66.5 -41.38 88.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.976 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.71 HD21 ' OG ' ' B' 1101 ' ' SER . 78.4 mt -60.13 -42.12 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.663 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.33 88.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.295 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.109 0.481 . . . . 0.0 110.945 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' B' 1086 ' ' LEU . 84.7 m -67.65 -40.6 84.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.45 -44.02 97.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.085 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.64 -39.97 92.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.347 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.56 -40.4 96.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.096 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -62.99 -40.68 98.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.386 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 61.4 m170 -63.23 -42.67 99.27 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.705 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.8 -43.43 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.552 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -63.3 -41.96 99.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.444 HD11 ' HB3' ' B' 1062 ' ' MET . 76.5 mt -64.91 -41.44 95.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.317 . . . . 0.0 110.73 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -62.84 -42.99 99.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.4 t -63.9 -42.48 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.932 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.511 ' CG ' HD11 ' A' ' 55' ' ' LEU . 85.1 t80 -59.29 -48.11 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.41 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -60.64 -46.4 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.06 96.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.0 t90 -59.89 -46.01 90.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 120.727 0.299 . . . . 0.0 110.4 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -61.98 -37.38 84.6 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 48.3 t . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 -179.707 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.102 0.477 . . . . 0.0 110.664 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.44 95.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.489 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.05 -43.35 99.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.45 -40.43 97.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.08 -43.02 99.75 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.513 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.684 HD11 ' HA3' ' A' ' 61' ' ' GLY . 83.2 mt -60.17 -42.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.649 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' B' 1121 ' ' TYR . 88.9 mt -98.13 19.15 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.987 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -144.4 -62.21 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.754 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.99 -6.99 88.46 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.67 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.85 79.39 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.05 159.45 83.99 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.674 0.273 . . . . 0.0 111.072 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.9 Cg_endo -72.43 -20.72 23.6 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.311 2.007 . . . . 0.0 112.291 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.684 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 16.4 mtm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.833 0.349 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.0 p -71.11 162.33 73.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.16 -41.37 65.63 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.285 1.99 . . . . 0.0 111.639 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.33 -40.7 85.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.03 -41.51 99.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.429 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.25 99.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.79 -41.08 97.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.552 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.8 mtt -62.8 -41.81 99.44 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.623 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.6 m -63.7 -40.82 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.62 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' B' 1109 ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.524 -0.056 0 CA-C-O 120.627 0.251 . . . . 0.0 110.698 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -61.11 -17.96 55.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.632 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.27 -12.64 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -72.56 134.88 45.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.62 160.42 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.841 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.82 -46.51 81.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.724 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.76 93.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -63.21 -43.43 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.663 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.471 HD11 ' CD ' ' B' 1113 ' ' GLU . 64.5 mt -64.88 -38.35 90.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.367 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.16 -47.72 82.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.203 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.4 t0 -64.82 -39.39 93.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.878 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.743 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.21 -42.45 95.16 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.71 -47.31 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -62.47 -37.49 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 70.6 p -89.92 -1.78 58.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.963 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.1 t -66.39 128.64 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 120.992 0.425 . . . . 0.0 110.377 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 79.2 m -123.71 22.0 9.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.64 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -148.39 151.97 36.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.635 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.18 -27.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.983 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.31 -46.24 87.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.534 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.743 HD21 ' CG2' ' B' 1097 ' ' THR . 50.1 tp -67.17 -40.24 86.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.5 -40.45 94.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.759 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -70.14 -32.79 70.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -64.41 -48.59 74.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.478 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 12.7 p -71.42 -41.13 69.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.72 -42.24 98.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.342 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.92 -43.29 96.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.168 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . 0.471 ' CD ' HD11 ' B' 1094 ' ' LEU . 88.3 tt0 -62.03 -41.59 98.26 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.448 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.7 m-30 -60.39 -44.23 95.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.521 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.12 -46.98 88.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.73 -41.51 95.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.53 -42.04 98.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1062 ' ' MET . 77.2 mt -63.06 -40.57 98.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.642 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 18.7 tptm -61.74 -44.69 96.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.89 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.201 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.552 ' HB2' HD21 ' A' ' 55' ' ' LEU . 90.1 t80 -59.21 -47.56 84.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.452 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 53.1 m170 -62.57 -41.65 99.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.401 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.32 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.785 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 68.7 t90 -60.51 -46.0 91.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.808 0.337 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.68 -39.11 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.214 179.739 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.927 0.394 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.64 -39.92 93.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.01 -40.7 98.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.791 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 0.0 110.539 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.47 -40.57 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.49 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.02 91.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.322 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.3 -41.11 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.7 mt -101.67 26.45 7.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -150.94 -62.97 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.209 0.528 . . . . 0.0 110.854 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.9 -4.93 88.34 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.54 21.8 76.32 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.97 156.69 86.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.128 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -75.46 -20.85 15.6 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.461 2.107 . . . . 0.0 112.273 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.9 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . 0.419 ' HE1' ' HG3' ' B' 1061 ' ' GLU . 23.5 mtm . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.8 p -70.57 161.08 79.13 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.98 -42.32 59.07 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.294 1.996 . . . . 0.0 111.928 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -40.52 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.381 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.72 -41.06 98.14 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.4 mtm -63.27 -40.85 98.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.258 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.6 -41.84 99.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.732 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.67 -41.2 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . 0.419 ' HG3' ' HE1' ' B' 1053 ' ' MET . 79.4 mm-40 -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.49 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.97 -42.88 99.62 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.355 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 74.6 m -63.78 -41.3 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.258 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.626 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.3 mt . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 120.507 0.194 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.9 p -68.0 -12.37 60.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.3 . . . . 0.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -98.06 -8.79 27.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -81.04 137.5 36.03 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.145 0.498 . . . . 0.0 110.706 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.67 161.91 14.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.751 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.99 -46.87 81.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.66 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.66 93.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.84 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.9 mt -64.61 -39.32 93.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.438 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -59.56 -48.1 82.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.847 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.64 -39.03 93.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.958 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.723 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.8 m -59.9 -44.06 94.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.307 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.2 -48.26 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.57 -38.15 88.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 79.8 p -89.6 -1.2 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.72 ' OG ' HD21 ' B' 1107 ' ' LEU . 62.7 p -57.3 129.99 44.25 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 110.594 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 -2.88 12.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.475 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -131.36 142.88 50.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.407 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.8 pt -67.44 -26.77 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.96 -44.97 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.723 HD21 ' CG2' ' B' 1097 ' ' THR . 50.8 tp -65.6 -41.48 92.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.861 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.72 HD21 ' OG ' ' B' 1101 ' ' SER . 55.7 mt -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.906 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.39 89.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.65 93.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.446 ' SG ' HD13 ' B' 1086 ' ' LEU . 88.2 m -66.96 -40.59 87.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.499 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.54 -43.58 98.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.15 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.29 -40.19 89.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.46 -41.17 98.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.123 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.469 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.82 -42.97 97.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.495 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 62.3 m170 -63.22 -43.98 96.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.81 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -66.31 -42.09 88.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -64.25 -42.39 96.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' 1059 ' ' ALA . 76.7 mt -63.68 -40.01 95.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.476 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.82 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.5 t -61.86 -41.85 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.87 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.32 -46.85 87.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.68 -47.08 87.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.42 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 77.7 t90 -60.65 -46.44 90.29 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.856 0.36 . . . . 0.0 110.361 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -62.79 -38.6 91.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.95 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--N 1.317 -0.847 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.993 -179.358 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.998 0.428 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -61.45 -39.84 92.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.47 -40.68 97.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.5 -42.57 99.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.38 -40.15 96.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.19 -43.33 99.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.516 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.02 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 0.0 110.275 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 51' ' ' ALA . 89.2 mt -59.46 -41.89 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -100.98 23.61 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.682 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -144.77 -61.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.0 -2.89 74.06 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.35 22.09 76.18 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 159.2 84.16 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.425 0.155 . . . . 0.0 111.215 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.65 -38.7 59.49 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.196 1.931 . . . . 0.0 112.32 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.946 -1.475 . . . . 0.0 110.892 -179.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.9 mtm . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.2 p -70.34 160.9 79.43 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.23 -42.67 46.38 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.179 1.92 . . . . 0.0 111.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.31 -40.7 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -62.44 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.26 -40.33 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.984 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.443 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.92 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.47 -42.11 98.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.704 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.49 -40.73 97.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.497 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.9 mtt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -61.37 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.456 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.042 179.798 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.615 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.9 mt . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.669 0.271 . . . . 0.0 110.522 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 90.8 p -61.82 -17.03 54.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.94 0.4 . . . . 0.0 110.339 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -89.22 -10.65 46.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.8 m95 -85.74 130.81 34.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.69 159.81 15.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.824 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.55 -47.89 80.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.87 95.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.699 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.85 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.93 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' 1086 ' ' LEU . 76.1 mt -64.77 -39.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.149 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.27 -47.77 84.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.873 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.0 -39.83 95.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.714 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.5 m -61.78 -43.85 98.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.719 HD13 HH12 ' B' 1111 ' ' ARG . 92.3 mt -61.46 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -61.34 -39.29 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.3 t -90.37 -2.95 58.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.464 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -65.37 134.09 52.78 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.025 0.441 . . . . 0.0 110.562 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.9 m -115.36 -5.45 12.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.389 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -114.9 143.88 44.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.856 0.36 . . . . 0.0 110.669 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.403 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.8 pt -69.59 -27.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.04 -45.05 90.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.107 0.48 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.714 HD21 ' CG2' ' B' 1097 ' ' THR . 52.8 tp -66.52 -40.57 89.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.142 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' 1101 ' ' SER . 84.9 mt -60.62 -44.58 96.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.546 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.66 81.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.54 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.56 98.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.669 ' HB3' HD11 ' B' 1098 ' ' ILE . 84.0 m -67.22 -40.0 86.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . 0.719 HH12 HD13 ' B' 1098 ' ' ILE . 87.8 mmt-85 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.316 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.0 -41.08 95.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.56 -42.52 96.77 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.528 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -65.77 -38.55 89.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.418 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -61.37 -46.55 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.672 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.34 -42.36 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.49 -41.49 96.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.498 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' 1062 ' ' MET . 66.1 mt -64.3 -40.11 95.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.49 -44.75 96.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.5 t -62.9 -41.94 94.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.1 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.93 -46.91 86.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.35 -46.86 87.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.36 98.67 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.015 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 79.9 t90 -60.97 -46.15 91.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -62.73 -36.57 83.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.325 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--N 1.311 -1.081 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.081 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.021 0.439 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -62.33 -38.35 89.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.206 0.527 . . . . 0.0 109.643 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.61 -40.81 97.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -42.49 99.58 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.463 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.53 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.605 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.05 -42.85 99.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.692 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.03 93.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.108 0.48 . . . . 0.0 110.425 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.15 -41.73 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.2 23.29 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.714 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -147.44 -62.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.148 0.499 . . . . 0.0 110.873 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.38 -5.93 86.56 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.17 19.31 77.24 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.08 159.47 85.11 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.047 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.1 Cg_endo -71.46 -21.6 25.9 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.279 1.986 . . . . 0.0 112.194 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 117.895 -1.503 . . . . 0.0 110.95 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp . . . . . 0 C--O 1.224 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.5 p -73.2 161.61 78.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.213 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.09 -42.7 51.99 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.09 1.86 . . . . 0.0 111.858 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.46 -41.14 85.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.87 -42.39 99.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.1 -42.18 99.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.516 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.54 -42.36 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.236 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -41.89 98.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.56 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 72.5 mtm -65.3 -39.29 92.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.3 m -62.05 -40.72 96.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.322 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.654 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.695 ' HB3' HD21 ' B' 1094 ' ' LEU . 46.8 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.556 0.217 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.3 p -69.84 -10.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.327 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -98.42 -1.94 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -90.51 134.74 34.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.749 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 161.62 11.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -56.62 -47.45 79.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.93 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.95 95.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.486 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.971 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.695 HD21 ' HB3' ' B' 1086 ' ' LEU . 54.4 mt -66.05 -39.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.757 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -48.92 79.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.066 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.32 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.26 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.44 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.0 m -60.55 -44.62 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.463 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 111.002 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -61.51 -38.71 88.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.38 -2.24 57.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.626 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.4 t -65.11 137.1 57.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.97 0.414 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.2 p -118.1 -3.77 11.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.521 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.69 138.65 51.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.62 -27.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.94 -45.39 89.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.189 0.518 . . . . 0.0 110.518 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.44 HD21 ' CG2' ' B' 1097 ' ' THR . 47.1 tp -65.79 -40.42 91.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1101 ' ' SER . 85.9 mt -61.03 -41.78 97.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.676 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.59 87.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.342 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.47 98.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.2 m -67.14 -40.32 86.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.66 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -61.52 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.16 -40.73 94.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.22 -39.91 95.97 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.245 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.45 ' HE1' HD13 ' B' 1094 ' ' LEU . 5.0 m-30 -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.951 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -60.91 -48.89 79.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.94 -44.32 96.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.79 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.516 HD21 ' HA ' ' B' 1059 ' ' ALA . 77.9 mt -64.12 -40.45 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.43 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -61.41 -46.7 89.02 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.339 . . . . 0.0 110.438 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 59.8 t -62.27 -40.52 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.568 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.7 t80 -58.74 -48.2 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.19 -45.94 92.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.11 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.82 90.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.2 t90 -60.95 -45.9 92.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.463 0.649 . . . . 0.0 110.217 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.05 -35.49 77.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.26 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 C--N 1.316 -0.873 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.577 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.081 0.467 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.54 -39.79 92.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.66 -40.75 98.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.4 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.14 -40.26 97.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.26 -44.57 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.19 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.71 -40.43 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.568 HD11 ' CG ' ' B' 1121 ' ' TYR . 81.9 mt -103.59 26.87 7.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.511 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.92 -62.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.045 0.45 . . . . 0.0 110.456 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.5 -6.1 87.83 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.329 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.44 20.65 78.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.95 159.83 82.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.331 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -70.68 -25.09 24.74 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.352 2.034 . . . . 0.0 112.094 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.797 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 19.3 mtm . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.75 0.31 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 32.2 p -69.97 162.63 67.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.406 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.75 -41.9 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.195 1.93 . . . . 0.0 111.709 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.65 -40.49 92.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.206 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -63.81 -41.3 97.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.9 -41.21 99.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.81 97.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -62.54 -41.36 98.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.905 0.383 . . . . 0.0 110.462 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 55' ' ' LEU . 27.5 mtt -63.55 -40.74 97.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.523 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 73.5 m -63.35 -40.42 97.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.668 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.861 -179.724 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.439 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.2 mt . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 120.753 0.311 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 93.7 p -69.6 -11.02 60.5 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.447 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -94.0 -11.07 31.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -81.02 138.39 36.03 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.0 158.07 23.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.61 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -55.69 -46.53 77.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.807 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.26 94.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.22 -43.57 97.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.854 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' 1086 ' ' LEU . 71.4 mt -64.1 -39.85 94.95 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.466 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -59.84 -47.93 83.73 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.255 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.19 -39.11 92.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -44.41 97.45 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.41 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.0 -46.99 95.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.79 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -62.28 -38.08 87.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.4 p -90.14 -2.33 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.54 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.9 t -71.76 128.92 37.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.089 0.471 . . . . 0.0 110.37 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 13.7 p -109.51 -4.66 16.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.606 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.45 138.6 48.97 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.95 0.405 . . . . 0.0 110.655 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.455 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.3 pt -69.43 -27.73 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.08 -45.62 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.51 -40.2 92.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.54 HD21 ' HB3' ' B' 1101 ' ' SER . 82.3 mt -60.72 -42.49 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.798 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.92 88.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.448 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.69 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.87 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.7 m -66.32 -40.59 90.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.599 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.61 -42.33 98.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.98 -40.95 95.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.41 -40.96 92.85 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.131 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -62.89 -43.21 99.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.344 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -62.5 -44.79 95.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.836 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -64.69 -41.87 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -64.39 -41.98 96.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.78 -41.0 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.56 -45.81 92.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 78.8 t -63.66 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.502 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.9 t80 -58.59 -47.72 83.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.047 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.5 -46.19 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.442 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.45 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.475 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.72 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 72.3 t90 -60.77 -45.02 95.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.243 0.544 . . . . 0.0 110.874 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.44 -39.48 83.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.596 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.995 0.426 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.43 -42.15 98.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.571 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.61 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.72 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.343 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.32 -44.08 97.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.35 93.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.395 . . . . 0.0 110.326 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.94 -41.48 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' B' 1121 ' ' TYR . 84.9 mt -101.65 28.13 5.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -150.71 -61.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.153 0.501 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.71 -2.54 75.55 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.44 21.13 75.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.81 160.28 83.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.905 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.57 -25.24 21.21 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.529 2.153 . . . . 0.0 112.432 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.842 -179.758 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.9 mtm . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.937 0.398 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.9 p -71.59 162.13 74.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.991 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.47 -43.16 56.66 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.187 1.925 . . . . 0.0 111.832 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.81 -41.19 87.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -63.55 -42.48 98.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.306 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.99 -40.48 96.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.19 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.426 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.31 -41.89 98.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.516 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.07 -39.58 94.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.574 ' HB3' HD11 ' B' 1118 ' ' LEU . 32.3 mtt -61.32 -42.73 99.15 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.549 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.722 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.609 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.2 mt . . . . . 0 CA--C 1.524 -0.05 0 CA-C-O 120.722 0.296 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.2 p -61.3 -18.1 56.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -86.19 -13.52 46.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.5 m95 -81.45 133.46 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.71 159.44 13.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.76 -48.27 80.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.824 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.69 94.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.26 -43.07 99.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' 1086 ' ' LEU . 72.6 mt -64.25 -39.66 94.4 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -59.6 -47.19 86.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.831 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.49 -40.23 95.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.214 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.52 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.3 -44.13 95.67 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.8 mt -60.23 -46.6 94.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.4 -36.81 83.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.5 p -89.64 -1.95 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.658 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.498 ' HB2' HD21 ' B' 1107 ' ' LEU . 66.2 m -61.15 130.18 45.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.916 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.5 m -113.58 -2.85 13.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.605 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -127.55 151.4 48.93 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.6 pt -69.56 -28.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.17 -44.94 90.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.091 0.472 . . . . 0.0 110.48 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.52 HD21 ' CG2' ' B' 1097 ' ' THR . 51.5 tp -66.11 -40.53 90.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.012 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' 1101 ' ' SER . 76.5 mt -61.25 -42.63 98.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.66 -31.45 71.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.377 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.87 88.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.978 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.445 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.4 m -69.6 -40.18 76.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.539 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.975 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.37 -43.21 95.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.88 -41.3 97.78 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.34 -43.46 98.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.14 -47.58 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -63.8 -41.7 97.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -63.1 -41.55 99.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.763 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' 1062 ' ' MET . 73.5 mt -62.33 -39.81 94.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.263 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 16.8 tptm -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.611 ' HB2' HD21 ' A' ' 55' ' ' LEU . 75.5 t80 -58.29 -48.3 80.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.356 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.79 -45.15 95.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.194 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.82 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 64.5 t90 -61.31 -46.1 91.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.296 0.569 . . . . 0.0 110.414 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.82 -36.39 78.93 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.021 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.316 -0.875 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.865 179.587 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.018 0.437 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.23 -39.51 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.53 -42.93 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.55 -39.99 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.35 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.39 -44.67 96.74 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.739 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.63 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.942 0.401 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.1 -41.28 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.946 0.403 . . . . 0.0 110.624 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' B' 1121 ' ' TYR . 86.8 mt -101.57 26.07 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -150.31 -62.08 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.017 0.437 . . . . 0.0 110.351 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -4.55 86.41 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.3 21.45 77.3 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.24 159.35 83.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 111.009 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.2 Cg_endo -72.98 -21.46 20.78 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 118.049 -1.417 . . . . 0.0 110.604 -179.813 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . 0.401 ' HB3' ' HE2' ' B' 1053 ' ' MET . 72.4 mtp . . . . . 0 C--O 1.223 -0.299 0 CA-C-O 120.541 0.21 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 81.9 p -71.28 157.64 89.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.042 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.4 -42.21 49.01 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.196 1.931 . . . . 0.0 111.799 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.44 -41.31 89.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.741 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -63.74 -41.87 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.46 -40.83 98.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.875 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.96 99.06 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -42.04 98.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.777 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.92 -39.92 94.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.415 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.667 ' HB3' HD11 ' B' 1118 ' ' LEU . 31.7 mtt -61.58 -42.86 99.46 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.1 t -62.76 -43.39 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 0.0 110.505 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.144 -179.611 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' 1094 ' ' LEU . 62.0 mt . . . . . 0 N--CA 1.455 -0.175 0 CA-C-O 120.737 0.303 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.0 p -68.46 -14.2 62.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.353 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -108.34 12.32 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.86 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m0 -97.52 133.55 41.94 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 121.054 0.454 . . . . 0.0 111.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.13 162.17 9.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.26 -46.44 83.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.893 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.86 93.97 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.24 -42.36 99.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.075 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.555 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.4 mt -64.35 -39.48 93.97 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.372 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 -49.54 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -38.74 91.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.081 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.585 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -60.63 -45.54 93.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.693 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.23 -47.97 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.691 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -62.36 -38.24 88.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 80.5 p -88.48 -1.65 58.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.708 ' OG ' HD21 ' B' 1107 ' ' LEU . 64.0 p -56.64 131.47 49.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.22 0.533 . . . . 0.0 110.821 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 71.1 m -115.65 -4.46 12.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.291 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -130.18 143.77 50.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.939 0.4 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.463 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -67.0 -27.43 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.6 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.74 -44.23 94.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.182 0.515 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.585 HD21 ' CG2' ' B' 1097 ' ' THR . 50.0 tp -65.51 -41.63 92.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.708 HD21 ' OG ' ' B' 1101 ' ' SER . 48.3 mt -60.6 -42.47 96.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.141 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.68 87.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.976 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.15 97.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.858 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.0 m -64.73 -41.91 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.406 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -61.66 -43.56 98.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.342 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.1 -42.65 96.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -62.68 -41.6 99.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.526 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.499 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -62.45 -45.02 94.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.63 -47.36 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.821 0.344 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -63.67 -42.89 98.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.763 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.05 -41.3 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.126 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.667 HD11 ' HB3' ' B' 1062 ' ' MET . 68.9 mt -63.16 -40.89 98.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.406 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.6 -41.69 98.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.9 t -64.47 -41.16 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.53 ' HB2' HD21 ' A' ' 55' ' ' LEU . 74.4 t80 -59.12 -48.31 82.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.415 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.21 93.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.774 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.679 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.7 t90 -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 120.699 0.285 . . . . 0.0 110.46 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.623 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 60.1 p . . . . . 0 C--N 1.318 -0.786 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.055 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 121.016 0.436 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.04 -39.04 90.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.045 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -39.93 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.623 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.3 -41.37 86.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.468 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.8 mt -98.5 22.35 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.135 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -150.23 -60.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.141 0.496 . . . . 0.0 110.95 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.86 -7.82 87.5 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 19.39 77.69 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.11 159.36 85.64 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-O 120.645 0.26 . . . . 0.0 110.759 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 70.2 Cg_endo -74.96 -18.16 19.07 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.383 2.056 . . . . 0.0 112.261 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.868 -179.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.4 mtm . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.846 0.355 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.6 p -69.23 162.09 68.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.189 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.18 -42.67 52.63 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.357 2.038 . . . . 0.0 111.888 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.06 -41.16 86.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.362 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.72 -43.16 99.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.7 mtm -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.438 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -65.53 -43.33 90.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.33 -41.17 96.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -45.64 93.2 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.653 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.76 -39.8 94.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.503 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -62.65 -41.5 99.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.657 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.658 ' HB3' HD21 ' B' 1094 ' ' LEU . 56.2 mt . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.556 0.217 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.1 p -64.24 -17.3 63.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -94.98 -10.91 29.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 10.9 m0 -77.43 134.74 38.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.48 159.06 16.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 48.8 t80 -56.87 -47.2 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.95 94.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.67 -44.43 93.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.658 HD21 ' HB3' ' B' 1086 ' ' LEU . 63.9 mt -65.04 -39.48 93.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.444 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.27 -47.28 86.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.068 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.61 -38.7 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.154 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.417 ' CG2' HD21 ' B' 1106 ' ' LEU . 96.4 m -61.73 -44.68 96.45 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.626 HD11 ' HB3' ' B' 1110 ' ' CYS . 90.9 mt -62.02 -45.16 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.976 0.417 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.54 -38.24 86.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.0 p -92.51 -1.78 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.425 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.1 t -68.4 128.28 36.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.518 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 17.3 p -113.38 0.28 14.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.756 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -114.94 136.91 52.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.662 0.268 . . . . 0.0 110.296 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.427 ' HA ' HD12 ' B' 1107 ' ' LEU . 16.7 tt -64.32 -34.88 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.417 HD21 ' CG2' ' B' 1097 ' ' THR . 56.9 tp -64.93 -40.78 95.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.429 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' 1104 ' ' ILE . 76.5 mt -61.13 -42.49 98.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.689 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.13 79.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.349 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.533 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.46 -43.76 96.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.626 ' HB3' HD11 ' B' 1098 ' ' ILE . 85.7 m -67.25 -40.33 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.46 -42.15 99.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.8 -41.35 95.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.23 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -40.08 94.32 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.338 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -65.39 -40.07 93.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.32 -44.32 97.39 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.604 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.74 -41.89 87.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -64.74 -41.14 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.242 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.438 HD21 ' HA ' ' B' 1059 ' ' ALA . 61.3 mt -63.52 -41.01 98.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 45.9 tttp -62.22 -45.07 94.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.635 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.1 t -61.65 -42.22 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 110.059 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.475 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 92.1 t80 -59.18 -46.99 86.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.81 -46.34 89.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.235 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.23 99.23 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.9 t90 -61.29 -45.34 94.89 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . 0.409 ' HE2' ' HH ' ' B' 1121 ' ' TYR . 14.3 mmmt -61.87 -40.58 95.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 C--N 1.319 -0.749 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.892 0.377 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.45 -38.84 88.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.94 -42.61 99.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.28 -40.43 97.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.324 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.57 -43.75 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.73 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.409 . . . . 0.0 110.653 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.9 -41.07 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.831 0.348 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' 1121 ' ' TYR . 77.2 mt -103.21 27.57 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -149.74 -62.16 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 110.445 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.54 -3.83 80.73 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.21 20.1 74.7 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.18 158.79 83.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.192 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.13 -38.52 66.47 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.558 2.172 . . . . 0.0 112.32 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 CA-C-O 117.948 -1.473 . . . . 0.0 110.965 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 21.6 mtm . . . . . 0 C--O 1.227 -0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.4 p -70.69 157.9 89.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.223 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.07 -40.44 41.37 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.281 1.987 . . . . 0.0 111.886 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -41.28 95.79 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.444 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -64.61 -40.87 96.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.4 mtm -63.89 -40.33 96.25 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.187 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.414 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.439 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.96 -41.8 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.363 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.05 -39.72 94.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.433 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.6 mtt -61.51 -42.38 98.72 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.551 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -61.64 -45.33 94.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.319 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.55 ' HB3' HD21 ' B' 1094 ' ' LEU . 44.0 mt . . . . . 0 C--O 1.227 -0.111 0 CA-C-O 120.316 0.103 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 84.9 p -60.7 -20.9 62.18 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -99.5 -1.73 37.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.3 m0 -81.1 139.01 35.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.117 0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -63.5 160.28 16.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.55 -46.59 83.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.75 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.97 -42.53 99.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.55 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.6 mt -64.81 -39.1 93.03 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.489 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -58.88 -49.46 77.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 109.829 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.4 -38.64 91.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.598 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.1 m -60.61 -43.9 96.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.457 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.86 -46.66 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.005 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.74 -38.54 88.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 81.7 p -89.91 -1.68 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.413 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 42.1 t -72.49 123.71 23.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.758 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.3 m -113.06 -2.71 14.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.45 ' HA ' HD12 ' B' 1107 ' ' LEU . 43.4 pt -68.9 -28.0 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.09 -44.48 92.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.103 0.478 . . . . 0.0 110.632 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.598 HD21 ' CG2' ' B' 1097 ' ' THR . 52.3 tp -67.12 -40.4 86.83 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.08 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.45 HD12 ' HA ' ' B' 1104 ' ' ILE . 87.1 mt -60.32 -42.55 95.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.285 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.268 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.45 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.54 -47.96 81.61 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.065 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 27.2 p -72.18 -34.82 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.547 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -60.97 -47.18 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.374 0.607 . . . . 0.0 110.289 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.58 -40.72 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.39 -41.43 93.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.026 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.422 ' HE1' HD13 ' B' 1094 ' ' LEU . 2.7 m-85 -61.07 -44.63 97.09 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.586 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -63.88 -42.79 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.28 -42.03 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -64.34 -42.77 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.414 HD21 ' HA ' ' B' 1059 ' ' ALA . 81.6 mt -64.33 -39.64 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.335 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.06 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.0 t -62.25 -42.4 95.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.953 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 71.2 t80 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -46.83 88.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.365 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.661 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.2 t90 -59.66 -46.16 89.87 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 120.843 0.354 . . . . 0.0 110.395 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -56.83 -44.54 82.15 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.631 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--N 1.313 -0.995 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.613 179.637 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.898 0.38 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.28 -39.6 93.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.31 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.54 -42.86 99.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.661 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.06 -39.59 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.452 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.533 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.43 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.62 -42.35 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -98.89 21.42 11.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.998 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.34 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.64 -5.78 81.21 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.53 21.1 76.06 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.78 151.33 91.06 Favored Pre-proline 0 C--N 1.332 -0.189 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.933 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.99 53.37 4.0 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.223 1.949 . . . . 0.0 111.77 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 117.964 -1.465 . . . . 0.0 110.92 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.1 mtm . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 47.5 p -68.72 161.13 73.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.93 -40.85 74.54 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.45 2.1 . . . . 0.0 111.952 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.62 -41.8 87.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.89 -40.12 94.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.64 -41.14 98.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.026 0.441 . . . . 0.0 109.993 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.412 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.85 -40.78 97.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -41.24 97.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.0 -41.82 99.69 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 55' ' ' LEU . 33.7 mtt -64.06 -39.63 94.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -40.15 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.655 HD11 ' HB1' ' B' 1109 ' ' ALA . 35.2 mt . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.901 0.382 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 48.3 t -59.03 -29.99 67.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.161 0.505 . . . . 0.0 110.211 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -92.09 3.92 54.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.322 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.0 m95 -95.69 132.62 40.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -65.63 161.09 21.2 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 84.9 t80 -57.13 -46.11 82.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.72 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -43.41 98.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.613 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.504 HD13 ' HE1' ' B' 1114 ' ' PHE . 63.2 mt -62.75 -39.37 93.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.261 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -59.94 -48.79 80.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 110.507 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . 0.471 ' O ' HG22 ' B' 1100 ' ' THR . 97.9 m-20 -64.13 -38.59 91.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.212 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.3 m -61.61 -46.27 90.55 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.532 HD11 ' HB3' ' B' 1110 ' ' CYS . 97.1 mt -63.34 -48.71 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.013 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . 0.471 HG22 ' O ' ' B' 1096 ' ' ASP . 3.6 t -89.61 -1.69 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.018 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.495 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -62.2 138.16 58.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.616 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 98.0 m -120.67 18.49 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 37.6 t0 -148.29 149.29 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -70.77 -27.55 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.694 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.16 -46.92 84.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.665 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 45.1 tp -66.41 -40.71 89.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.495 HD21 ' HB3' ' B' 1101 ' ' SER . 85.1 mt -60.95 -43.54 98.55 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.009 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.07 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.655 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -63.27 -44.14 95.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.126 0.488 . . . . 0.0 110.861 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.532 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.0 m -65.81 -40.12 91.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.017 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.52 -41.95 98.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.79 -40.32 88.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.09 -40.95 97.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.504 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.01 -44.64 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.605 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.28 -47.53 85.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.693 0.283 . . . . 0.0 110.63 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.72 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -64.06 -41.46 97.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' 1062 ' ' MET . 73.7 mt -63.89 -40.29 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.41 -45.99 91.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 70.7 t -61.98 -40.18 86.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.058 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.47 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 91.0 t80 -59.05 -47.12 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 56.8 m170 -61.31 -42.44 98.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.92 99.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.325 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.761 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -61.37 -45.51 94.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -62.53 -38.3 89.46 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.316 -0.879 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.243 179.595 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.983 0.42 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.76 -39.68 92.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.245 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.9 -40.84 98.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.453 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.99 -42.21 98.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.023 0.44 . . . . 0.0 110.511 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -41.67 99.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.458 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.422 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.11 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.61 -41.06 86.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' B' 1062 ' ' MET . 97.4 mt -102.09 27.57 6.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.553 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -150.47 -61.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.105 0.479 . . . . 0.0 110.647 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 -3.32 81.07 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.6 75.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.94 158.12 88.27 Favored Pre-proline 0 N--CA 1.453 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.801 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.0 Cg_endo -71.72 -20.83 25.97 Favored 'Trans proline' 0 C--N 1.302 -1.895 0 C-N-CA 122.544 2.163 . . . . 0.0 112.356 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.029 -1.429 . . . . 0.0 110.749 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.7 mtm . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.776 0.322 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 161.05 81.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.39 -43.36 50.07 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.562 2.174 . . . . 0.0 111.927 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.63 -41.27 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.33 -41.29 98.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.19 -41.72 99.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.435 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.97 -40.13 96.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.85 -42.67 99.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.19 -40.41 96.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.414 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.2 mtt -62.88 -41.69 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.446 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.88 -40.96 99.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.784 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.662 ' HB3' HD21 ' B' 1094 ' ' LEU . 64.5 mt . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.612 0.244 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.5 p -64.0 -16.56 61.89 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -102.04 -12.22 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -73.73 135.54 43.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.796 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.35 160.31 19.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -57.44 -47.04 82.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.038 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.52 94.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.61 -42.83 98.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.412 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.6 mt -63.26 -39.57 94.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.546 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.48 -47.75 84.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.188 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.05 -38.68 91.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.173 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.668 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.0 m -61.46 -44.51 96.97 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.78 -46.84 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.04 -37.12 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 75.0 p -90.86 -1.52 57.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.494 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.7 t -72.33 125.58 27.71 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.037 0.446 . . . . 0.0 110.208 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 87.9 m -108.15 -3.39 18.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.8 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -113.66 141.38 47.29 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 110.573 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.402 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.6 pt -70.11 -26.64 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -47.23 81.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.456 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.668 HD21 ' CG2' ' B' 1097 ' ' THR . 51.6 tp -65.12 -40.84 95.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.255 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' B' 1101 ' ' SER . 81.1 mt -60.41 -42.0 95.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.873 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.56 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.209 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.417 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.57 -43.81 95.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.1 m -66.13 -40.49 90.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.33 -43.1 99.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.41 -40.04 85.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -62.82 -41.06 99.15 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.508 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.489 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.4 m-30 -63.48 -44.78 93.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.382 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.11 -47.32 85.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.618 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -62.78 -43.99 97.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -62.72 -41.97 99.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.435 HD21 ' HA ' ' B' 1059 ' ' ALA . 67.4 mt -63.31 -41.04 98.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.669 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.95 -44.67 96.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.395 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.1 t -62.08 -40.98 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.575 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.1 t80 -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.97 -48.43 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.56 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.623 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 66.6 t90 -58.34 -47.48 83.63 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.69 0.281 . . . . 0.0 110.34 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.115 179.632 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.936 0.398 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -39.45 92.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.551 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.42 -42.69 99.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.52 -42.31 99.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.13 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.689 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.36 -45.06 95.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.04 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HA3' ' A' ' 61' ' ' GLY . 85.1 mt -60.59 -40.78 85.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' B' 1121 ' ' TYR . 81.4 mt -101.62 26.3 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -151.6 -63.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.235 0.54 . . . . 0.0 110.845 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.22 -6.29 88.91 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 20.07 76.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.9 158.74 85.54 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.043 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.2 Cg_endo -72.15 -23.63 21.08 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.483 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.93 -1.483 . . . . 0.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 74.5 mtp . . . . . 0 C--O 1.223 -0.324 0 CA-C-O 120.695 0.283 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.0 p -70.31 161.66 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.68 -42.05 58.56 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.018 1.812 . . . . 0.0 111.673 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.73 -40.59 88.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.9 -42.99 97.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.99 -39.7 94.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.8 -42.85 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.602 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.38 -38.14 89.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.492 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.641 ' HB3' HD11 ' B' 1118 ' ' LEU . 0.0 OUTLIER -60.65 -44.47 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 89.9 p -64.36 -37.81 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.213 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' 1094 ' ' LEU . 74.7 mt . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.603 0.239 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.7 p -63.89 -16.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 110.377 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -96.52 -8.67 31.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -80.81 135.16 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.31 161.59 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.21 -46.49 79.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.788 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.66 95.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.375 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.95 -43.22 96.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.0 mt -65.27 -39.37 92.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.814 0.34 . . . . 0.0 110.501 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -58.92 -49.46 77.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.813 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.68 -38.55 90.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.701 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.5 m -61.24 -42.96 99.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.406 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.699 HG23 HH12 ' B' 1111 ' ' ARG . 95.1 mt -60.15 -47.47 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -62.02 -38.61 89.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.0 p -89.0 -1.66 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.345 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . . . . . . . . . 39.8 t -71.82 121.17 18.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.109 0.48 . . . . 0.0 110.765 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.8 m -113.98 -2.99 13.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.533 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -113.14 143.13 44.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.4 pt -67.61 -28.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.739 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -44.6 90.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.701 HD21 ' CG2' ' B' 1097 ' ' THR . 59.5 tp -67.16 -40.77 86.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.217 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.64 -42.26 96.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.367 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.7 86.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.064 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.502 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.16 -47.66 83.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.156 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 26.2 p -71.32 -35.75 71.35 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.643 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . 0.699 HH12 HG23 ' B' 1098 ' ' ILE . 4.6 mpt_? -63.83 -43.8 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.28 -42.93 99.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.253 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.07 -40.53 96.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.537 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -61.68 -44.18 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.786 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.93 -48.7 79.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.759 0.314 . . . . 0.0 111.007 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.96 -44.24 97.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -61.13 -42.14 98.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' 1062 ' ' MET . 76.1 mt -62.89 -41.13 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.327 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.53 -45.33 93.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -60.82 -42.7 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.927 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.429 ' HB2' HD21 ' A' ' 55' ' ' LEU . 84.2 t80 -59.37 -46.89 87.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.69 -47.21 86.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.4 98.84 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 84.8 t90 -61.33 -46.68 89.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.938 0.399 . . . . 0.0 110.409 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -61.75 -38.71 88.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.525 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 0 C--N 1.311 -1.08 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.033 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.016 0.436 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.81 -39.84 93.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -40.59 96.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.69 -42.25 99.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.85 -39.86 95.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.75 -43.95 97.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.73 -42.03 87.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' 1121 ' ' TYR . 83.9 mt -100.32 21.53 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.649 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -144.17 -62.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.081 0.467 . . . . 0.0 110.796 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.42 -3.3 84.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.537 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 20.62 77.29 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.86 159.9 84.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.806 0.336 . . . . 0.0 111.036 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.0 Cg_endo -72.28 -20.0 24.99 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.342 2.028 . . . . 0.0 112.139 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.864 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.3 mtm . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 49.6 p -68.61 162.22 64.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.24 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.63 -42.5 61.87 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.242 1.962 . . . . 0.0 111.948 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -68.46 -36.68 79.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -63.24 -42.86 99.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.185 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.27 -39.81 94.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.806 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.518 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.1 -40.06 94.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.728 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.38 -42.74 99.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.65 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.698 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.645 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.3 t -62.85 -43.07 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 -179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.483 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.8 mt . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.56 0.219 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 94.9 p -68.93 -11.48 60.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -94.35 -11.15 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.779 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -82.34 136.02 35.08 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.079 0.466 . . . . 0.0 110.7 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.8 158.39 21.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.637 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 66.6 t80 -56.35 -46.88 79.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.804 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.22 -43.26 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.679 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.8 mt -64.22 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.389 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.92 -47.65 84.92 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.131 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 64.5 t0 -65.03 -39.76 93.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.172 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.517 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.5 m -60.01 -44.94 94.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.58 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.452 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.6 mt -61.73 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.12 -38.87 87.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.024 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.8 t -91.58 -2.38 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.233 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.57 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.3 t -67.6 134.6 51.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.466 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.1 m -114.65 -5.04 12.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.574 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.68 140.28 48.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.448 ' HA ' HD12 ' B' 1107 ' ' LEU . 47.2 pt -69.43 -26.96 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.692 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.44 -46.45 86.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.231 0.539 . . . . 0.0 110.599 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.517 HD21 ' CG2' ' B' 1097 ' ' THR . 48.5 tp -66.2 -39.88 89.96 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.059 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' 1101 ' ' SER . 85.2 mt -60.44 -42.73 96.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.853 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.75 88.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.278 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.74 96.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.452 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.9 m -66.64 -40.76 88.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.45 -42.2 99.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.06 -40.49 94.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.34 -42.58 91.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.272 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -64.72 -41.16 96.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.26 -47.93 83.89 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.305 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -64.79 -42.05 95.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.002 0.429 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -63.21 -40.71 98.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.736 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -62.95 -40.7 98.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.189 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.0 t -63.5 -41.72 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.0 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.261 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.47 -48.34 82.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.07 99.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.628 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.5 t90 -59.88 -44.66 94.07 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 122.066 -0.396 . . . . 0.0 110.536 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -58.59 -46.51 86.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.833 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 C--N 1.312 -1.046 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.515 -179.811 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 121.011 0.434 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.32 -40.12 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.27 -40.64 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.74 -42.81 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.67 -40.1 96.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.406 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.33 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.508 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.56 90.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.694 HD11 ' HA3' ' A' ' 61' ' ' GLY . 86.3 mt -59.48 -42.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.962 0.41 . . . . 0.0 110.744 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -101.52 26.48 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -147.67 -62.14 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.062 0.458 . . . . 0.0 110.526 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.01 -3.66 79.35 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.21 22.27 78.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.15 160.01 83.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.5 Cg_endo -72.39 -19.89 24.75 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.442 2.095 . . . . 0.0 112.43 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.694 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.008 -1.44 . . . . 0.0 110.76 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' B' 1053 ' ' MET . 82.0 mtp . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 120.521 0.2 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 68.3 p -71.95 160.48 82.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.379 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.36 -44.35 43.9 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.259 1.973 . . . . 0.0 111.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . 0.42 ' CD ' ' HH ' ' B' 1121 ' ' TYR . 72.9 mm-40 -68.0 -39.33 83.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.4 -45.49 94.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -62.6 -40.22 96.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.955 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.44 -41.59 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.764 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.71 98.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.795 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.608 ' HB3' HD11 ' B' 1118 ' ' LEU . 37.6 mtt -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.335 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.694 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.96 -179.556 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' B' 1094 ' ' LEU . 69.1 mt . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.679 0.276 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.2 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.374 . . . . 0.0 110.598 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -89.67 -8.66 51.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.93 139.54 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.94 159.59 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.89 -47.9 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.835 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.98 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.765 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.64 -43.17 97.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' 1086 ' ' LEU . 55.4 mt -65.37 -39.55 92.42 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.672 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.97 -47.14 87.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.748 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.89 -39.6 93.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.077 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.7 m -59.93 -44.68 94.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.569 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.66 -46.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.31 -38.78 88.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.07 -3.1 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.608 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.6 t -65.96 135.95 55.41 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.919 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 83.9 m -116.09 -4.65 11.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.552 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -115.36 139.55 49.9 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.452 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -69.79 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.41 -46.19 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.22 -40.08 90.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.608 HD21 ' HB3' ' B' 1101 ' ' SER . 80.0 mt -60.68 -43.32 97.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.711 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.14 88.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.369 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.73 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.417 ' SG ' HD13 ' B' 1086 ' ' LEU . 90.7 m -65.93 -41.09 91.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -61.87 -44.34 97.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.8 -39.59 91.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.542 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.15 -39.18 93.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.009 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.503 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.18 -41.0 97.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.413 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.05 -47.03 87.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.098 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -60.84 -45.7 93.47 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.965 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -60.57 -42.57 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' B' 1062 ' ' MET . 78.7 mt -64.06 -39.63 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.37 -48.04 83.45 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.619 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 56.9 t -62.25 -40.92 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.019 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.537 ' CG ' HD11 ' A' ' 55' ' ' LEU . 81.9 t80 -58.32 -47.54 83.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.38 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.28 -45.79 92.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.176 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.29 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -60.31 -46.37 90.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.723 0.296 . . . . 0.0 110.332 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . 0.408 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 67.2 mmtt -61.89 -38.77 89.57 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.313 -0.98 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.758 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.458 -0.075 0 CA-C-O 120.989 0.424 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -61.58 -38.86 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.39 -44.03 97.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -41.94 98.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.596 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -40.0 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.13 -43.65 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.345 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.64 96.61 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.81 -41.59 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.62 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' B' 1121 ' ' TYR . 94.2 mt -102.15 27.93 6.25 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -156.91 -61.92 0.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.072 0.463 . . . . 0.0 110.438 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.34 -10.6 84.45 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.35 76.96 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.6 146.29 85.77 Favored Pre-proline 0 N--CA 1.455 -0.204 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.065 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -82.95 50.25 3.31 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.044 1.829 . . . . 0.0 112.204 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.799 179.776 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 14.1 mtm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.768 0.318 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 33.4 p -69.35 160.89 77.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.86 -42.39 57.97 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.26 1.973 . . . . 0.0 111.943 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.34 -42.23 88.43 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.836 0.351 . . . . 0.0 110.485 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.66 -42.53 98.07 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.26 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.376 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.423 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.43 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.99 -42.7 99.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.59 -40.33 96.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.621 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.49 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.7 mtt -62.74 -41.53 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.666 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 95.2 p -64.57 -38.3 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.744 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.569 ' HB3' HD21 ' B' 1094 ' ' LEU . 26.7 mt . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.702 0.287 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -67.06 -14.04 62.51 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.99 0.424 . . . . 0.0 110.423 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -94.37 -8.15 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.5 m0 -84.92 133.21 34.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.36 161.24 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.36 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.792 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.41 95.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.823 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.51 -44.01 95.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.569 HD21 ' HB3' ' B' 1086 ' ' LEU . 74.6 mt -64.51 -39.99 94.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.38 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.15 -48.25 82.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.071 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.26 -38.61 90.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.383 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.8 m -61.01 -44.91 96.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.634 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.6 mt -62.18 -46.37 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.39 -38.54 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.3 t -91.53 -3.56 56.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.443 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.5 t -65.07 134.25 53.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.546 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -117.26 2.5 12.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.65 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -119.7 135.79 54.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.436 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.9 tt -61.93 -34.99 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.25 -44.55 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.383 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.33 -40.91 96.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 110.212 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.443 HD21 ' HB3' ' B' 1101 ' ' SER . 74.0 mt -60.77 -42.75 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.825 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.69 79.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.282 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -62.17 -44.84 95.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.726 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.634 ' HB3' HD11 ' B' 1098 ' ' ILE . 94.8 m -68.82 -39.9 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.9 -42.97 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.25 -42.2 93.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.284 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -61.31 -41.23 96.66 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.76 -44.04 97.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.89 -47.84 84.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 0.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -63.16 -42.05 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.401 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -63.51 -41.44 98.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.73 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' 1062 ' ' MET . 69.6 mt -62.74 -40.11 96.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -60.66 -46.02 91.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.526 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 71.7 t -62.51 -40.74 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 55' ' ' LEU . 87.2 t80 -58.96 -48.07 82.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.372 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.73 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.64 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.713 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.6 t90 -60.61 -46.73 89.16 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.743 0.306 . . . . 0.0 110.476 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.21 -37.88 87.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--N 1.317 -0.817 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.109 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -61.31 -39.65 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.92 -41.64 98.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.64 -42.57 99.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.531 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.41 -40.19 95.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.448 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.24 -44.24 97.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.96 92.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.67 -40.82 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.718 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' B' 1121 ' ' TYR . 94.6 mt -101.13 25.4 8.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -148.9 -63.26 0.23 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.461 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.86 -5.64 86.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.25 20.2 77.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.8 161.0 81.5 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.775 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.3 Cg_endo -72.18 -21.76 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.617 2.211 . . . . 0.0 112.206 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.816 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 44.4 p -72.75 160.92 81.66 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 -39.44 87.64 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.478 2.119 . . . . 0.0 111.929 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.78 -40.1 95.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.84 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.2 -41.58 99.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.146 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.452 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.8 -42.59 97.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.427 ' CE ' HD22 ' A' ' 55' ' ' LEU . 77.5 mtm -65.53 -40.04 92.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.673 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.49 -43.59 98.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.565 ' HB3' HD21 ' B' 1094 ' ' LEU . 76.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.594 0.235 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 97.7 p -65.53 -15.48 62.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -91.79 -10.88 38.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -83.17 134.96 34.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.998 0.428 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -63.47 160.78 15.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.684 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.3 -47.21 82.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.82 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.528 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.73 -43.1 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.565 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.5 mt -65.56 -39.29 91.52 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.273 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -59.57 -48.71 80.6 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.889 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.51 -38.68 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.988 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.2 m -60.12 -45.21 93.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.513 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.609 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.5 mt -62.08 -47.21 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.013 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -61.88 -39.22 91.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 5.6 t -89.86 -2.09 58.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.435 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.5 t -61.46 137.42 58.24 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 110.599 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 76.0 m -120.84 19.32 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 33.0 t0 -147.97 149.41 32.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.74 -28.1 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.73 -45.45 89.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 52.5 tp -67.48 -40.84 85.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.356 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' 1101 ' ' SER . 81.6 mt -60.59 -44.07 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.863 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.07 74.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.239 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -62.12 -44.14 97.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.745 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.609 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.0 m -68.59 -40.1 80.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.274 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.05 -40.38 94.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.44 -40.97 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.049 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.63 -40.74 92.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.796 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.4 -47.68 85.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.346 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -65.04 -42.35 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -63.79 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.452 HD21 ' HA ' ' B' 1059 ' ' ALA . 74.0 mt -63.9 -40.83 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -44.99 95.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.866 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.7 t -63.44 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.009 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.686 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.5 t80 -59.68 -47.4 85.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.954 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 61.0 m170 -63.15 -42.49 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.365 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.12 98.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.712 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.9 t90 -60.12 -45.57 92.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.777 0.323 . . . . 0.0 110.449 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . 0.447 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 70.6 mmtt -58.46 -40.22 82.05 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.354 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 52.4 p . . . . . 0 C--N 1.315 -0.919 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.26 179.332 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.055 0.455 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -62.91 -39.5 94.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.066 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.41 -40.55 96.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.33 -42.74 98.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.36 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.43 97.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -61.5 -44.26 97.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.79 90.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.046 0.45 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.439 HG21 ' HA ' ' B' 1121 ' ' TYR . 82.8 mt -59.47 -42.25 87.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' B' 1121 ' ' TYR . 85.5 mt -101.34 23.75 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.564 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -143.98 -61.42 0.39 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.147 0.499 . . . . 0.0 110.423 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.3 -3.41 75.53 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 21.16 77.45 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.94 159.06 86.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.675 0.274 . . . . 0.0 111.014 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.8 Cg_endo -70.89 -19.16 31.07 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.239 1.959 . . . . 0.0 112.256 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 117.951 -1.472 . . . . 0.0 110.834 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 6.8 mtp . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 120.624 0.25 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.9 p -68.25 161.14 71.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.446 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.97 -42.5 66.26 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.024 1.816 . . . . 0.0 111.693 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.48 -40.02 89.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -63.83 -42.38 97.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.576 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.35 -40.42 95.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.118 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.65 98.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.592 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.46 96.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . 0.538 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -62.11 -42.72 99.51 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.593 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.2 t -63.21 -42.71 99.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.73 -179.613 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.593 ' HB3' HD21 ' B' 1094 ' ' LEU . 65.4 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.746 0.308 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 98.1 p -66.55 -14.66 62.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -93.12 -8.91 41.29 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.89 136.41 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 58.4 mttp -62.58 160.67 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -57.72 -47.98 80.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.669 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.81 94.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.741 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.4 -43.15 98.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.732 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.593 HD21 ' HB3' ' B' 1086 ' ' LEU . 65.1 mt -65.13 -39.5 93.12 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.16 -48.01 83.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.8 t0 -64.94 -39.56 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.519 ' CG2' HD21 ' B' 1106 ' ' LEU . 91.9 m -60.23 -45.37 93.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . 0.602 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.9 mt -61.97 -46.78 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -61.13 -38.8 87.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.0 t -91.25 -2.94 57.34 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.51 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.8 t -65.82 136.04 55.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.86 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 16.7 p -116.31 -8.15 11.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.39 139.54 44.22 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' B' 1107 ' ' LEU . 42.2 pt -69.64 -27.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.88 -45.4 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.213 0.53 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.519 HD21 ' CG2' ' B' 1097 ' ' THR . 47.0 tp -66.53 -40.11 88.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.244 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' 1101 ' ' SER . 78.8 mt -60.47 -43.02 97.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.01 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.47 87.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.184 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . 0.602 ' HB3' HD11 ' B' 1098 ' ' ILE . 89.6 m -65.28 -41.48 94.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -60.51 -45.51 93.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.359 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.13 -39.76 86.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.649 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.93 -39.96 96.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.182 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.426 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.71 -41.07 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.249 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 20.4 m170 -62.02 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.373 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.45 -45.28 91.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.346 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -63.33 -42.48 98.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.178 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.538 HD11 ' HB3' ' B' 1062 ' ' MET . 80.9 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.96 -45.15 95.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.923 0.392 . . . . 0.0 110.652 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.6 t -63.28 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.067 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.529 ' CD1' HD11 ' A' ' 55' ' ' LEU . 82.3 t80 -58.87 -48.58 80.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.31 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.65 -47.22 87.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.382 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.05 88.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.828 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 63.5 t90 -60.83 -45.74 93.3 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.285 0.564 . . . . 0.0 110.562 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.97 -40.08 87.86 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.282 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 82.5 p . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.054 0.454 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -62.03 -39.54 92.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.38 -39.73 95.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.5 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.94 -43.07 99.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.12 -39.74 94.7 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.546 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.02 -43.88 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.448 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.39 97.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.073 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.83 -42.54 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' 1121 ' ' TYR . 86.9 mt -100.48 27.22 5.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -155.69 -61.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.81 -8.7 87.63 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.51 78.01 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.33 158.42 85.36 Favored Pre-proline 0 C--O 1.225 -0.189 0 CA-C-O 120.908 0.385 . . . . 0.0 111.305 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.7 Cg_endo -72.77 -21.97 20.91 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.189 1.926 . . . . 0.0 112.297 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 118.002 -1.444 . . . . 0.0 110.745 -179.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.2 mtm . . . . . 0 CA--C 1.523 -0.082 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.3 p -70.52 161.01 79.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -40.47 81.91 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.269 1.979 . . . . 0.0 111.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.23 -42.35 88.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.95 -39.72 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1058 ' ' MET . . . . . . . . . . . . . 7.3 mtp -61.6 -42.01 98.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.97 0.414 . . . . 0.0 110.028 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1059 ' ' ALA . . . . . 0.53 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.7 -41.12 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.716 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.11 -41.26 98.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.409 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.73 -41.66 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.494 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -63.14 -40.79 98.59 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1063 ' ' SER . . . . . . . . . . . . . 70.9 m -63.29 -40.95 98.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.62 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1086 ' ' LEU . . . . . 0.676 ' HB3' HD21 ' B' 1094 ' ' LEU . 70.2 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.544 0.211 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1087 ' ' SER . . . . . . . . . . . . . 56.8 p -64.06 -20.24 65.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -103.88 -2.13 26.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.06 131.51 35.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.88 163.13 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.52 -46.3 83.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.856 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.11 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -42.87 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1094 ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' 1086 ' ' LEU . 68.0 mt -65.45 -37.97 88.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -59.24 -46.58 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.45 -38.33 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.954 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1097 ' ' THR . . . . . 0.678 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -61.33 -43.75 98.34 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.91 -47.31 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -62.76 -37.71 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.6 p -89.6 -1.28 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1101 ' ' SER . . . . . 0.668 ' OG ' HD21 ' B' 1107 ' ' LEU . 60.1 p -59.37 127.29 31.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.469 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.6 p -121.95 -7.73 8.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.357 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -122.93 150.78 42.5 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1104 ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' 1107 ' ' LEU . 41.7 pt -69.75 -28.66 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.07 -44.66 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.273 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1106 ' ' LEU . . . . . 0.678 HD21 ' CG2' ' B' 1097 ' ' THR . 59.2 tp -65.36 -41.01 94.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.45 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1107 ' ' LEU . . . . . 0.668 HD21 ' OG ' ' B' 1101 ' ' SER . 56.3 mt -60.68 -41.4 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.535 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.67 77.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1109 ' ' ALA . . . . . 0.517 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.91 -49.44 72.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.769 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 23.3 p -69.84 -40.48 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.02 -42.12 99.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.418 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.88 -41.2 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.45 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.9 -40.51 93.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1114 ' ' PHE . . . . . 0.413 ' HE2' HD13 ' B' 1094 ' ' LEU . 10.4 m-30 -63.86 -42.5 97.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -62.74 -44.62 95.75 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.923 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.96 -43.28 88.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1117 ' ' ARG . . . . . 0.418 ' HB3' HD23 ' A' ' 55' ' ' LEU . 89.8 mtt180 -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.128 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1118 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -64.08 -40.36 96.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.618 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.81 -45.01 95.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.799 0.333 . . . . 0.0 110.407 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.1 t -62.62 -41.11 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1121 ' ' TYR . . . . . 0.502 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 93.0 t80 -58.45 -46.9 85.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.13 -48.52 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1124 ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 80.9 t90 -61.04 -45.44 94.79 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.142 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -62.27 -38.73 90.44 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.677 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 121.122 0.486 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.72 -38.78 89.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.248 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.26 -41.95 98.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.258 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.13 -42.38 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.51 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.534 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.53 -43.98 97.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.73 91.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.323 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.47 -40.6 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' CG ' ' B' 1121 ' ' TYR . 86.0 mt -103.5 25.79 9.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -149.62 -61.68 0.22 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.076 0.465 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.93 -3.71 85.28 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.02 77.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.58 157.81 89.11 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.983 0.42 . . . . 0.0 111.167 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 58.7 Cg_endo -73.42 -20.79 20.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.41 2.074 . . . . 0.0 112.276 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.772 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 60.4 mtm-85 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.63 -26.88 53.44 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.672 2.248 . . . . 0.0 112.459 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 33.2 mttt 47.55 37.5 6.6 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.5 mtm -84.9 146.57 27.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 46.9 p -68.72 160.09 78.9 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.406 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -51.66 -42.68 55.28 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.256 1.971 . . . . 0.0 111.851 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.3 -40.75 86.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.627 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -63.36 -42.99 98.91 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.959 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.7 mtm -63.73 -40.17 96.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.036 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.55 97.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -61.74 -42.48 99.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.428 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.628 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.65 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.1 mtt -61.76 -42.12 98.57 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.59 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.0 t -62.98 -42.67 99.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.639 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.43 -40.9 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -66.74 -40.09 88.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.66 -40.35 92.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.5 m -68.88 -39.97 79.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.503 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.6 -44.81 95.86 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.888 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -130.5 75.89 0.42 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.45 143.8 99.6 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.764 2.31 . . . . 0.0 111.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -132.95 98.04 4.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.572 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.467 HG12 ' HB2' ' B' 1074 ' ' ALA . 79.1 t -66.16 -41.72 89.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.307 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.664 HD13 ' OE2' ' B' 1112 ' ' GLU . 55.8 mt 63.52 20.63 12.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.936 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.467 ' HB2' HG12 ' B' 1072 ' ' VAL . . . -64.41 -25.55 68.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.55 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 73.3 p -79.16 167.16 21.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.76 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -64.03 -11.75 32.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.945 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.93 47.47 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.756 0.312 . . . . 0.0 110.548 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . 0.518 ' HB1' ' HE3' ' B' 1082 ' ' LYS . . . -60.19 -39.64 87.22 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.426 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -68.66 135.01 50.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.373 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 89.82 -10.67 72.96 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 1.3 m -104.56 -40.96 5.84 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.98 0.419 . . . . 0.0 110.445 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . 0.518 ' HE3' ' HB1' ' B' 1078 ' ' ALA . 98.5 mttt -63.63 -21.46 66.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.055 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 92.3 mttt -61.31 -23.84 66.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.279 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -61.42 135.41 57.68 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.11 0.481 . . . . 0.0 110.24 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -95.39 104.98 16.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.401 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.719 HD11 ' HB1' ' B' 1109 ' ' ALA . 24.0 mt -118.56 -11.41 9.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.602 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 91.3 p -63.03 -17.82 62.65 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.908 0.385 . . . . 0.0 110.252 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -91.22 -7.6 50.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -86.93 133.31 33.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.012 0.434 . . . . 0.0 110.534 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -62.8 160.37 14.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.824 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -57.2 -47.13 82.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.969 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.58 94.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.661 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.37 -43.4 97.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.787 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.425 HD13 ' HE1' ' B' 1114 ' ' PHE . 74.0 mt -64.93 -39.84 94.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.541 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -60.06 -47.31 86.4 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.969 0.414 . . . . 0.0 110.18 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 60.3 t0 -66.71 -39.77 88.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.281 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.576 HG22 HD21 ' B' 1106 ' ' LEU . 95.0 m -60.66 -44.97 95.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.748 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.01 -46.74 95.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -61.96 -38.21 87.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 67.8 p -90.69 -1.88 57.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.497 ' OG ' HD22 ' B' 1106 ' ' LEU . 45.1 t -66.3 127.12 30.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.595 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -113.03 3.15 16.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.883 179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -119.18 136.8 54.01 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 120.633 0.254 . . . . 0.0 110.471 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.511 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.1 tt -64.37 -36.26 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.246 179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' 1104 ' ' ILE . 98.4 mt-10 -62.05 -43.8 98.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.363 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.576 HD21 HG22 ' B' 1097 ' ' THR . 7.7 tt -65.4 -39.37 92.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.304 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.511 HD12 ' HA ' ' B' 1104 ' ' ILE . 70.1 mt -60.61 -43.23 97.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.826 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.53 -37.73 88.55 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.352 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.719 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -62.2 -43.57 98.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.806 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.9 m -66.1 -40.23 90.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.166 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.6 -41.21 97.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.314 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . 0.664 ' OE2' HD13 ' B' 1073 ' ' LEU . 93.7 mt-10 -64.09 -42.1 97.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.593 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.81 -40.75 97.37 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.425 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.5 m-30 -63.38 -44.16 95.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.737 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -62.2 -46.96 86.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.83 0.348 . . . . 0.0 110.47 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -63.58 -42.55 98.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.88 -42.4 97.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.65 HD11 ' HB3' ' B' 1062 ' ' MET . 74.8 mt -63.92 -40.2 95.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.769 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.0 tptt -61.23 -45.63 93.75 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.7 t -62.96 -40.97 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.034 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.497 ' CD1' HD11 ' A' ' 55' ' ' LEU . 90.8 t80 -59.13 -47.3 85.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.35 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -61.31 -42.66 99.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.311 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.55 -42.64 99.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.849 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.8 t90 -60.71 -45.55 93.77 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.022 0.439 . . . . 0.0 110.538 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -61.31 -36.93 81.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.125 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 46.8 t -60.82 -41.01 94.86 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.066 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 91.4 mttt -64.89 -46.37 82.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.007 0.432 . . . . 0.0 110.812 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -70.21 -39.11 75.34 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.535 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -72.1 -40.49 68.14 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.516 0.674 . . . . 0.0 110.553 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -138.33 148.37 44.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 62.9 mtt85 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 118.14 -0.934 . . . . 0.0 110.512 179.575 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.85 -42.24 98.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.695 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.59 -39.97 93.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.121 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.21 -39.75 93.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.416 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.04 -44.05 97.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.01 -40.0 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.85 -44.33 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.563 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.72 95.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.878 0.371 . . . . 0.0 110.689 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.83 -41.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.94 0.4 . . . . 0.0 110.754 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' B' 1121 ' ' TYR . 89.6 mt -102.0 26.11 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.578 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -148.78 -61.36 0.24 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.014 0.435 . . . . 0.0 110.421 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.69 -3.36 80.78 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.4 22.1 76.25 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.32 159.13 86.2 Favored Pre-proline 0 C--N 1.331 -0.23 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.898 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.87 -23.66 21.97 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.364 2.043 . . . . 0.0 112.25 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.883 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.818 -179.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.28 144.9 52.61 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.905 2.403 . . . . 0.0 111.862 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.9 pttt -65.17 -28.04 69.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.271 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.0 mtm -73.84 142.1 46.12 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.298 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.1 p -71.42 161.97 75.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.653 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -52.17 -43.35 53.85 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 121.973 1.782 . . . . 0.0 111.702 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.19 -40.92 94.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.515 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -64.34 -41.01 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.35 -40.77 98.21 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.967 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.408 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.78 -41.61 99.33 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.633 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.66 -41.95 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.737 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.72 -39.89 94.42 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.65 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.444 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -63.01 -41.81 99.65 Favored 'General case' 0 N--CA 1.461 0.112 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.607 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.51 -42.37 98.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.07 -43.56 98.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.419 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -69.8 -39.79 76.37 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.446 -0.502 . . . . 0.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.68 HD13 ' CD2' ' B' 1115 ' ' HIS . 75.7 mt -64.2 -39.91 94.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.785 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.7 m -69.58 -39.37 77.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.382 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -57.46 -50.09 74.16 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.475 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -98.43 149.97 19.27 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.183 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . 0.457 ' HB2' HD12 ' B' 1073 ' ' LEU . 72.3 Cg_endo -79.87 85.69 1.79 Allowed 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.3 2.0 . . . . 0.0 112.079 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.54 87.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.181 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 55.0 t -59.43 -46.96 92.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.834 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.457 HD12 ' HB2' ' B' 1070 ' ' PRO . 88.1 mt -64.29 -40.45 95.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.825 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.68 99.9 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.366 0.603 . . . . 0.0 110.121 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 94.1 m -63.22 -46.11 88.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.751 -179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 67.0 mttm -63.17 -40.7 98.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.727 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' B' 1078 ' ' ALA . . . -62.3 -43.22 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.368 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' B' 1077 ' ' ALA . . . 171.5 109.87 0.01 OUTLIER 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.163 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.3 -79.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.491 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 81.86 2.61 90.6 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 91.7 m -61.42 -40.84 95.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 120.948 0.404 . . . . 0.0 110.72 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.98 -43.5 98.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.495 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -65.95 -37.86 87.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.646 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -108.94 106.27 16.17 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.135 0.493 . . . . 0.0 110.647 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.76 97.3 8.52 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.56 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.663 ' HB3' HD21 ' B' 1094 ' ' LEU . 45.1 mt -106.23 3.32 27.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.858 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -68.81 -10.75 58.53 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.261 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.3 mtpt -98.34 -9.94 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.03 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -82.15 136.25 35.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.021 0.438 . . . . 0.0 110.914 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.66 160.06 14.86 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.952 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.8 t80 -57.15 -47.02 82.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.645 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.61 91.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.412 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.88 -43.3 96.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.663 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.5 mt -66.01 -39.54 90.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.2 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.15 -48.18 82.56 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.812 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . 0.418 ' O ' HG22 ' B' 1100 ' ' THR . 58.9 t0 -64.75 -39.71 94.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.07 179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.619 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.2 m -60.34 -44.02 95.89 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.669 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.421 HG23 ' CD2' ' B' 1107 ' ' LEU . 94.9 mt -61.72 -47.31 93.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 0.0 111.036 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -62.28 -38.83 90.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.246 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . 0.418 HG22 ' O ' ' B' 1096 ' ' ASP . 9.7 t -90.66 -0.79 57.81 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.528 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.71 ' OG ' HD21 ' B' 1107 ' ' LEU . 80.4 p -62.86 152.41 36.33 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.234 0.54 . . . . 0.0 110.796 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 19.5 p -129.72 -4.69 4.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.05 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -126.21 140.99 52.11 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.124 0.488 . . . . 0.0 111.272 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.429 ' HA ' HD12 ' B' 1107 ' ' LEU . 48.1 pt -68.52 -25.44 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.762 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.02 -46.31 88.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.178 0.513 . . . . 0.0 110.36 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.619 HD21 ' CG2' ' B' 1097 ' ' THR . 56.4 tp -66.5 -41.38 88.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.976 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.71 HD21 ' OG ' ' B' 1101 ' ' SER . 78.4 mt -60.13 -42.12 94.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.663 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.3 -38.33 88.99 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.295 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.89 96.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.109 0.481 . . . . 0.0 110.945 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.438 ' SG ' HD13 ' B' 1086 ' ' LEU . 84.7 m -67.65 -40.6 84.52 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.623 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.45 -44.02 97.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.085 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.64 -39.97 92.0 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.347 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.56 -40.4 96.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 120.146 -0.621 . . . . 0.0 110.096 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.534 ' HB3' HD11 ' B' 1066 ' ' LEU . 3.7 m-30 -62.99 -40.68 98.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.386 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.68 ' CD2' HD13 ' B' 1066 ' ' LEU . 61.4 m170 -63.23 -42.67 99.27 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.705 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.8 -43.43 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.552 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -63.3 -41.96 99.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.796 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.444 HD11 ' HB3' ' B' 1062 ' ' MET . 76.5 mt -64.91 -41.44 95.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.767 0.317 . . . . 0.0 110.73 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -62.84 -42.99 99.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.517 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.4 t -63.9 -42.48 95.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.932 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.511 ' CG ' HD11 ' A' ' 55' ' ' LEU . 85.1 t80 -59.29 -48.11 82.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.41 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -60.64 -46.4 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.285 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.06 96.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.0 t90 -59.89 -46.01 90.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 120.727 0.299 . . . . 0.0 110.4 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -61.98 -37.38 84.6 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 178.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 48.3 t -60.1 -43.11 95.83 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.86 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -65.08 -45.85 83.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.164 0.507 . . . . 0.0 111.21 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -69.39 -39.97 77.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.677 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.98 -40.53 68.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.294 0.569 . . . . 0.0 110.52 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -130.71 137.01 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.16 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.575 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.03 -42.66 99.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.664 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -62.0 -39.61 92.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.052 0.453 . . . . 0.0 110.085 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.04 -40.44 95.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.489 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.05 -43.35 99.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.013 0.435 . . . . 0.0 110.441 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.45 -40.43 97.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.08 -43.02 99.75 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.513 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.41 95.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.118 0.485 . . . . 0.0 110.398 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.684 HD11 ' HA3' ' A' ' 61' ' ' GLY . 83.2 mt -60.17 -42.88 91.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.649 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 HD11 ' CG ' ' B' 1121 ' ' TYR . 88.9 mt -98.13 19.15 14.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.987 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -144.4 -62.21 0.37 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.754 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.99 -6.99 88.46 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.67 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.85 79.39 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.05 159.45 83.99 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.674 0.273 . . . . 0.0 111.072 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.9 Cg_endo -72.43 -20.72 23.6 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.311 2.007 . . . . 0.0 112.291 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.684 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.708 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.49 133.78 23.11 Favored 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.933 2.422 . . . . 0.0 111.806 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -75.41 -28.64 59.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 16.4 mtm -72.53 152.02 42.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.584 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.0 p -71.11 162.33 73.1 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.16 -41.37 65.63 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.285 1.99 . . . . 0.0 111.639 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.33 -40.7 85.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -63.03 -41.51 99.54 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.25 -41.37 99.06 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.429 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.25 99.47 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -63.79 -41.08 97.99 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.501 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.552 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.8 mtt -62.8 -41.81 99.44 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.623 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.6 m -63.7 -40.82 97.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.62 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.22 -41.84 98.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.06 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -67.17 -39.67 86.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.092 0.472 . . . . 0.0 110.448 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.92 -39.09 79.84 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.714 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 73.4 m -63.06 -44.98 94.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -72.68 -27.98 62.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -90.9 156.69 24.66 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -73.19 152.07 50.02 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.895 2.397 . . . . 0.0 112.207 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -98.95 100.94 12.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.419 HG22 ' H ' ' B' 1074 ' ' ALA . 14.7 p -158.21 133.4 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.11 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' B' 1108 ' ' ALA . 79.5 mt -63.04 -39.41 94.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.728 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.599 ' HB3' ' CB ' ' B' 1108 ' ' ALA . . . 64.5 22.09 12.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.627 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.3 130.01 28.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.39 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -92.98 1.31 57.37 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.675 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -160.4 153.69 21.94 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.147 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -63.64 -20.31 65.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.612 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.55 78.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.624 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -63.12 -40.04 98.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 86.0 m -63.56 -41.4 98.42 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.98 0.419 . . . . 0.0 110.712 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -61.01 -41.76 97.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -61.87 -36.81 82.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.192 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . 0.417 ' O ' HD12 ' B' 1086 ' ' LEU . 1.8 m-85 -110.05 37.22 2.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.04 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 36.5 t70 -74.94 87.22 2.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.949 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.452 ' CD1' ' HB1' ' B' 1109 ' ' ALA . 0.8 OUTLIER -98.93 23.37 9.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.698 -179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -61.11 -17.96 55.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.632 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -95.27 -12.64 25.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -72.56 134.88 45.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.812 0.339 . . . . 0.0 110.611 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.62 160.42 16.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.841 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 80.9 t80 -56.82 -46.51 81.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.724 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.76 93.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -63.21 -43.43 98.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.663 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.471 HD11 ' CD ' ' B' 1113 ' ' GLU . 64.5 mt -64.88 -38.35 90.67 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.367 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.16 -47.72 82.5 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.203 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.4 t0 -64.82 -39.39 93.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.878 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.743 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.21 -42.45 95.16 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.408 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.71 -47.31 93.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -62.47 -37.49 86.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 70.6 p -89.92 -1.78 58.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.963 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 46.1 t -66.39 128.64 36.95 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 120.992 0.425 . . . . 0.0 110.377 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 79.2 m -123.71 22.0 9.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.64 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 34.2 t0 -148.39 151.97 36.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.635 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.5 pt -71.18 -27.87 30.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.983 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.31 -46.24 87.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.534 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.743 HD21 ' CG2' ' B' 1097 ' ' THR . 50.1 tp -67.17 -40.24 86.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.231 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.5 -40.45 94.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.759 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . 0.599 ' CB ' ' HB3' ' B' 1074 ' ' ALA . . . -70.14 -32.79 70.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.331 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' B' 1086 ' ' LEU . . . -64.41 -48.59 74.8 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.478 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 12.7 p -71.42 -41.13 69.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.72 -42.24 98.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.342 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.92 -43.29 96.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.168 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . 0.471 ' CD ' HD11 ' B' 1094 ' ' LEU . 88.3 tt0 -62.03 -41.59 98.26 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.448 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.7 m-30 -60.39 -44.23 95.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.521 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.12 -46.98 88.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 110.383 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -64.73 -41.51 95.89 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.946 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -63.53 -42.04 98.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1062 ' ' MET . 77.2 mt -63.06 -40.57 98.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.642 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 18.7 tptm -61.74 -44.69 96.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.89 -40.58 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.201 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.552 ' HB2' HD21 ' A' ' 55' ' ' LEU . 90.1 t80 -59.21 -47.56 84.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.452 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 53.1 m170 -62.57 -41.65 99.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.401 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.32 99.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.785 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 68.7 t90 -60.51 -46.0 91.74 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.808 0.337 . . . . 0.0 110.336 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -61.68 -39.11 90.27 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.603 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.5 m -63.15 -40.57 97.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.214 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -65.59 -45.57 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.156 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -71.02 -38.28 72.62 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.501 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.28 -67.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -75.73 130.94 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.405 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.614 -179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.636 HD12 ' OD2' ' A' ' 49' ' ' ASP . 88.5 mt . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.17 -42.01 98.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.64 -39.92 93.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.223 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.636 ' OD2' HD12 ' A' ' 46' ' ' ILE . 99.5 m-20 -63.01 -40.7 98.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.791 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -63.04 -42.72 99.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.123 0.487 . . . . 0.0 110.539 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.785 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.47 -40.57 97.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.447 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.49 -43.36 99.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.02 91.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.918 0.389 . . . . 0.0 110.322 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -60.3 -41.11 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.776 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.7 mt -101.67 26.45 7.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -150.94 -62.97 0.19 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.209 0.528 . . . . 0.0 110.854 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.9 -4.93 88.34 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.54 21.8 76.32 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.97 156.69 86.08 Favored Pre-proline 0 C--N 1.331 -0.198 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.128 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -75.46 -20.85 15.6 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.461 2.107 . . . . 0.0 112.273 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.752 0 CA-C-O 117.981 -1.455 . . . . 0.0 110.9 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 51.6 mtm180 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.66 134.59 22.39 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.761 2.307 . . . . 0.0 112.153 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 61.2 mttp -95.7 -8.59 34.19 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.29 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . 0.419 ' HE1' ' HG3' ' B' 1061 ' ' GLU . 23.5 mtm -80.1 159.16 26.2 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 110.185 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.8 p -70.57 161.08 79.13 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.242 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -51.98 -42.32 59.07 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.294 1.996 . . . . 0.0 111.928 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -40.52 93.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.381 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -63.72 -41.06 98.14 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.062 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.4 mtm -63.27 -40.85 98.56 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.041 -0.663 . . . . 0.0 110.258 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.421 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.6 -41.84 99.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.732 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.67 -41.2 98.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.507 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . 0.419 ' HG3' ' HE1' ' B' 1053 ' ' MET . 79.4 mm-40 -63.86 -39.73 94.89 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.49 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 31.2 mtt -61.97 -42.88 99.62 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.355 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 74.6 m -63.78 -41.3 97.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.951 0.405 . . . . 0.0 110.46 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.23 -41.82 99.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -66.66 -40.91 88.83 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 110.63 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.633 HD13 ' NE2' ' B' 1115 ' ' HIS . 82.0 mt -65.48 -41.82 92.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.488 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.9 t -64.3 -44.04 92.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.741 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -62.28 -39.89 94.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.214 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -69.29 -106.53 0.03 OUTLIER Glycine 0 CA--C 1.534 1.263 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . 0.803 ' HG3' HD21 ' B' 1073 ' ' LEU . 52.4 Cg_endo -70.51 145.35 52.55 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.879 1.719 . . . . 0.0 112.383 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -62.33 -42.25 99.23 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.728 HG22 ' H ' ' B' 1074 ' ' ALA . 14.9 p -146.57 130.23 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.584 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.803 HD21 ' HG3' ' B' 1070 ' ' PRO . 81.6 mt -106.36 14.6 27.16 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.143 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.728 ' H ' HG22 ' B' 1072 ' ' VAL . . . -62.2 -27.52 69.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.15 0.5 . . . . 0.0 110.254 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 2.1 m -66.82 150.68 48.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.649 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' B' 1079 ' ' ALA . 29.9 mmmt -91.1 17.35 8.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.68 141.5 57.8 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.85 0.357 . . . . 0.0 110.241 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . 0.521 ' HB1' ' OG1' ' B' 1081 ' ' THR . . . 62.18 20.55 11.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . 0.484 ' HB2' ' O ' ' B' 1076 ' ' LYS . . . -63.52 -38.64 91.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 110.976 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -99.76 13.38 60.89 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . 0.521 ' OG1' ' HB1' ' B' 1078 ' ' ALA . 73.0 p -100.3 12.55 36.85 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 120.686 0.279 . . . . 0.0 110.965 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -89.93 33.91 0.86 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.838 0.352 . . . . 0.0 110.852 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -62.57 -23.69 67.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.482 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -66.15 136.42 55.91 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.318 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.2 t0 -89.1 77.21 7.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.626 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.3 mt -99.71 -1.59 37.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.046 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.9 p -68.0 -12.37 60.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.731 0.3 . . . . 0.0 110.437 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -98.06 -8.79 27.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.888 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -81.04 137.5 36.03 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.145 0.498 . . . . 0.0 110.706 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -63.67 161.91 14.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.751 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -56.99 -46.87 81.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.66 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.66 93.26 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.546 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.84 -43.33 99.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.951 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.9 mt -64.61 -39.32 93.5 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.438 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -59.56 -48.1 82.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.847 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -63.64 -39.03 93.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.958 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.723 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.8 m -59.9 -44.06 94.46 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 120.61 -0.436 . . . . 0.0 110.307 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.2 -48.26 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.57 -38.15 88.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.278 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 79.8 p -89.6 -1.2 57.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.72 ' OG ' HD21 ' B' 1107 ' ' LEU . 62.7 p -57.3 129.99 44.25 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.242 0.544 . . . . 0.0 110.594 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.8 m -115.31 -2.88 12.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.475 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -131.36 142.88 50.14 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.034 0.445 . . . . 0.0 110.918 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.407 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.8 pt -67.44 -26.77 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.96 -44.97 91.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.062 0.458 . . . . 0.0 110.563 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.723 HD21 ' CG2' ' B' 1097 ' ' THR . 50.8 tp -65.6 -41.48 92.76 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.861 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.72 HD21 ' OG ' ' B' 1101 ' ' SER . 55.7 mt -60.49 -42.56 96.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.906 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . 0.452 ' HB1' ' HB1' ' B' 1078 ' ' ALA . . . -62.34 -38.39 89.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.288 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.65 93.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.446 ' SG ' HD13 ' B' 1086 ' ' LEU . 88.2 m -66.96 -40.59 87.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.499 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.54 -43.58 98.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.15 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.29 -40.19 89.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.409 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.46 -41.17 98.57 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.123 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.469 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.82 -42.97 97.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.495 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.633 ' NE2' HD13 ' B' 1066 ' ' LEU . 62.3 m170 -63.22 -43.98 96.56 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.81 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -66.31 -42.09 88.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.609 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -64.25 -42.39 96.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.421 HD21 ' HA ' ' B' 1059 ' ' ALA . 76.7 mt -63.68 -40.01 95.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.476 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -61.82 -44.11 97.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.5 t -61.86 -41.85 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.87 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.32 -46.85 87.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.217 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.68 -47.08 87.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.261 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.42 97.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.766 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 77.7 t90 -60.65 -46.44 90.29 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.856 0.36 . . . . 0.0 110.361 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -62.79 -38.6 91.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.95 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 54.0 p -62.54 -37.34 85.74 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.048 -0.523 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -69.97 -44.73 68.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 0.0 111.376 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -69.6 -38.78 77.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.356 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -80.46 -29.83 37.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.159 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -138.93 136.92 35.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.678 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.94 -42.72 99.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.667 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -61.45 -39.84 92.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.47 -40.68 97.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.779 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.5 -42.57 99.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.38 -40.15 96.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.468 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -61.19 -43.33 99.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.516 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.02 91.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 0.0 110.275 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 51' ' ' ALA . 89.2 mt -59.46 -41.89 86.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.644 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 88.2 mt -100.98 23.61 10.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.682 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -144.77 -61.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.67 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -90.0 -2.89 74.06 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.35 22.09 76.18 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.39 159.2 84.16 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.425 0.155 . . . . 0.0 111.215 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.65 -38.7 59.49 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.196 1.931 . . . . 0.0 112.32 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 117.946 -1.475 . . . . 0.0 110.892 -179.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.15 157.91 49.84 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.088 2.525 . . . . 0.0 111.889 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -81.44 -3.12 51.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.097 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.9 mtm -64.43 145.79 55.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.166 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 41.2 p -70.34 160.9 79.43 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.144 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -50.23 -42.67 46.38 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.179 1.92 . . . . 0.0 111.7 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.31 -40.7 90.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.682 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -62.44 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.032 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.26 -40.33 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.984 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.443 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.92 -40.61 98.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.755 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.7 mttp -61.47 -42.11 98.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.704 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -63.49 -40.73 97.85 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.51 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.497 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.9 mtt -63.43 -40.37 96.99 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -61.37 -41.49 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.456 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.98 -42.97 99.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.042 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -66.74 -40.45 88.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.28 0.562 . . . . 0.0 110.304 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.774 HD22 ' NE2' ' B' 1115 ' ' HIS . 89.2 mt -67.46 -38.52 84.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.534 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.7 m -60.97 -45.57 94.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.079 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -77.47 -28.76 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.603 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -125.42 78.45 0.37 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo -53.54 -39.43 82.57 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.829 2.352 . . . . 0.0 112.239 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' B' 1111 ' ' ARG . . . 48.06 72.9 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 64.3 t -119.64 89.58 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.148 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.57 ' HB3' HG22 ' B' 1075 ' ' THR . 83.6 mt -64.98 -38.05 89.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.452 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 62.94 40.87 9.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.491 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.57 HG22 ' HB3' ' B' 1073 ' ' LEU . 13.1 t -150.47 175.46 11.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.762 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -63.33 -39.7 95.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.727 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 51.05 37.62 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.725 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . 0.586 ' O ' HG23 ' B' 1081 ' ' THR . . . -61.41 -40.63 95.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.238 0.542 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -72.7 120.59 18.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.078 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 99.19 6.76 55.46 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . 0.586 HG23 ' O ' ' B' 1078 ' ' ALA . 20.9 p -61.6 -25.75 67.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.385 -0.479 . . . . 0.0 110.934 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -61.18 -41.83 97.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 89.6 mttt -82.36 -24.98 34.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.191 0.52 . . . . 0.0 110.261 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . 0.409 ' HA ' ' HB1' ' B' 1109 ' ' ALA . 12.7 m-30 -64.07 -33.18 75.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.24 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.8 t0 -71.95 77.77 0.91 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.074 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.615 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.9 mt -102.92 18.59 21.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.522 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 90.8 p -61.82 -17.03 54.73 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.94 0.4 . . . . 0.0 110.339 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -89.22 -10.65 46.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.724 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.8 m95 -85.74 130.81 34.46 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.69 159.81 15.47 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.824 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.55 -47.89 80.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.87 95.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.699 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.85 -42.39 99.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.93 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.615 HD21 ' HB3' ' B' 1086 ' ' LEU . 76.1 mt -64.77 -39.45 93.64 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.149 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.27 -47.77 84.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.873 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -64.0 -39.83 95.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.423 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.714 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.5 m -61.78 -43.85 98.03 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.814 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.719 HD13 HH12 ' B' 1111 ' ' ARG . 92.3 mt -61.46 -46.15 97.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.107 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -61.34 -39.29 90.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.3 t -90.37 -2.95 58.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.464 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -65.37 134.09 52.78 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.025 0.441 . . . . 0.0 110.562 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.9 m -115.36 -5.45 12.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.389 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -114.9 143.88 44.44 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.856 0.36 . . . . 0.0 110.669 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.403 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.8 pt -69.59 -27.57 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.624 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.04 -45.05 90.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.107 0.48 . . . . 0.0 110.518 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.714 HD21 ' CG2' ' B' 1097 ' ' THR . 52.8 tp -66.52 -40.57 89.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.142 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.464 HD21 ' HB3' ' B' 1101 ' ' SER . 84.9 mt -60.62 -44.58 96.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.546 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.23 -35.66 81.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.54 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' B' 1084 ' ' TYR . . . -61.92 -43.56 98.59 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.669 ' HB3' HD11 ' B' 1098 ' ' ILE . 84.0 m -67.22 -40.0 86.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . 0.719 HH12 HD13 ' B' 1098 ' ' ILE . 87.8 mmt-85 -61.91 -42.93 99.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.316 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.0 -41.08 95.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.446 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.56 -42.52 96.77 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.528 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -65.77 -38.55 89.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.418 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.774 ' NE2' HD22 ' B' 1066 ' ' LEU . 58.4 m-70 -61.37 -46.55 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.672 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.34 -42.36 83.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -64.49 -41.49 96.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.498 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.497 HD11 ' HB3' ' B' 1062 ' ' MET . 66.1 mt -64.3 -40.11 95.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -61.49 -44.75 96.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.612 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.5 t -62.9 -41.94 94.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.1 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.93 -46.91 86.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.35 -46.86 87.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.36 98.67 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.015 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 79.9 t90 -60.97 -46.15 91.88 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.782 0.325 . . . . 0.0 110.512 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -62.73 -36.57 83.44 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.325 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.4 m -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.081 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 66.7 mttm -65.58 -50.18 66.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.016 0.436 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -66.21 -39.34 89.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.327 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -70.33 -40.2 74.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.247 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -73.09 124.57 25.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.431 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.904 -1.046 . . . . 0.0 110.58 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.238 0.542 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.51 -37.37 80.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -62.33 -38.35 89.15 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.206 0.527 . . . . 0.0 109.643 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -63.61 -40.81 97.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -42.49 99.58 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.463 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.53 97.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.605 179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.05 -42.85 99.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.692 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.03 93.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.108 0.48 . . . . 0.0 110.425 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.15 -41.73 87.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.502 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.5 mt -100.2 23.29 10.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.714 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -147.44 -62.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.148 0.499 . . . . 0.0 110.873 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.38 -5.93 86.56 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.17 19.31 77.24 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.08 159.47 85.11 Favored Pre-proline 0 C--N 1.333 -0.151 0 CA-C-O 120.868 0.366 . . . . 0.0 111.047 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.1 Cg_endo -71.46 -21.6 25.9 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.279 1.986 . . . . 0.0 112.194 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.768 0 CA-C-O 117.895 -1.503 . . . . 0.0 110.95 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.8 150.05 61.24 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.933 2.422 . . . . 0.0 112.04 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 64.2 pttt -62.22 -25.93 68.08 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.504 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 72.4 mtp -68.93 138.06 54.31 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.647 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.5 p -73.2 161.61 78.44 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.213 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.09 -42.7 51.99 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.09 1.86 . . . . 0.0 111.858 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -67.46 -41.14 85.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -62.87 -42.39 99.74 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.0 mtm -63.1 -42.18 99.54 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.539 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.516 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.54 -42.36 95.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.236 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -41.89 98.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.56 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 72.5 mtm -65.3 -39.29 92.33 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.688 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 75.3 m -62.05 -40.72 96.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.322 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.31 -42.16 99.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -67.09 -40.32 86.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.071 0.462 . . . . 0.0 110.477 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.419 HD11 ' HB3' ' B' 1114 ' ' PHE . 83.1 mt -65.02 -40.45 94.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 89.9 p -64.15 -39.2 93.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.357 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 5.9 mmp_? -63.82 -40.26 96.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . 50.74 58.5 9.18 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . 0.542 ' O ' HG23 ' B' 1072 ' ' VAL . 20.7 Cg_endo -59.82 -28.8 88.06 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.742 2.294 . . . . 0.0 112.123 -179.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.471 ' HB1' ' HG ' ' B' 1073 ' ' LEU . . . -62.02 -38.3 88.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.57 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' 1070 ' ' PRO . 8.0 t 58.89 19.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.531 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.511 HD21 HD12 ' B' 1104 ' ' ILE . 83.3 mt -63.36 -39.38 94.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.643 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' B' 1073 ' ' LEU . . . 64.1 30.49 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.404 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.64 150.14 45.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.615 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -62.42 -39.55 93.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.584 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.434 ' CB ' ' HB1' ' B' 1108 ' ' ALA . . . 55.03 34.2 21.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.578 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.91 92.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.766 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.88 95.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.752 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -64.97 -40.95 97.52 Favored Glycine 0 CA--C 1.52 0.387 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 91.3 m -61.55 -42.38 98.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 110.61 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.87 -41.31 97.7 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 61.4 mttm -64.8 -38.2 90.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.946 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -108.01 104.65 14.14 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.803 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -80.23 101.66 9.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.494 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.695 ' HB3' HD21 ' B' 1094 ' ' LEU . 46.8 mt -111.44 3.93 18.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.918 -179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.3 p -69.84 -10.81 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.009 0.433 . . . . 0.0 110.327 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -98.42 -1.94 40.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -90.51 134.74 34.15 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.749 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 161.62 11.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -56.62 -47.45 79.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.93 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.95 95.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.486 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.33 -44.82 93.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.971 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.695 HD21 ' HB3' ' B' 1086 ' ' LEU . 54.4 mt -66.05 -39.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.892 0.377 . . . . 0.0 110.757 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -48.92 79.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.066 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.32 -38.03 89.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.26 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.44 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.0 m -60.55 -44.62 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.463 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.71 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.298 . . . . 0.0 111.002 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -61.51 -38.71 88.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.38 -2.24 57.37 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.237 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.626 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.4 t -65.11 137.1 57.44 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.97 0.414 . . . . 0.0 110.619 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.2 p -118.1 -3.77 11.06 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.521 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.69 138.65 51.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.996 0.427 . . . . 0.0 110.744 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.511 HD12 HD21 ' B' 1073 ' ' LEU . 46.6 pt -68.62 -27.46 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.94 -45.39 89.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.189 0.518 . . . . 0.0 110.518 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.44 HD21 ' CG2' ' B' 1097 ' ' THR . 47.1 tp -65.79 -40.42 91.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.197 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.626 HD21 ' HB3' ' B' 1101 ' ' SER . 85.9 mt -61.03 -41.78 97.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.676 -179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' B' 1077 ' ' ALA . . . -62.95 -37.59 87.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.342 178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.47 98.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.569 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.2 m -67.14 -40.32 86.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.66 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 23.6 mtp-105 -61.52 -43.24 99.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.16 -40.73 94.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.562 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.22 -39.91 95.97 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.245 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.45 ' HE1' HD13 ' B' 1094 ' ' LEU . 5.0 m-30 -64.01 -42.66 97.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.951 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -60.91 -48.89 79.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.861 0.362 . . . . 0.0 110.519 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -62.94 -44.32 96.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.79 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -60.9 -42.66 98.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.554 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.516 HD21 ' HA ' ' B' 1059 ' ' ALA . 77.9 mt -64.12 -40.45 96.22 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.43 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -61.41 -46.7 89.02 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.811 0.339 . . . . 0.0 110.438 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 59.8 t -62.27 -40.52 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.568 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.7 t80 -58.74 -48.2 82.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.533 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -61.19 -45.94 92.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.11 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.82 90.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.426 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.781 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.2 t90 -60.95 -45.9 92.87 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.463 0.649 . . . . 0.0 110.217 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -61.05 -35.49 77.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.26 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.6 m -69.07 -38.89 79.31 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.706 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -67.81 -29.09 68.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.481 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -92.95 -40.15 10.74 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.396 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -72.69 -41.49 65.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.206 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -113.38 123.44 50.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.631 179.775 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.531 HG22 ' H ' ' A' ' 48' ' ' ASN . 84.3 mt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.77 -42.18 98.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.081 0.467 . . . . 0.0 110.557 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' H ' HG22 ' A' ' 46' ' ' ILE . 25.7 m120 -61.54 -39.79 92.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.354 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.66 -40.75 98.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.4 -42.78 99.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.615 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.781 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.14 -40.26 97.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -61.26 -44.57 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.829 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.19 93.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.962 0.41 . . . . 0.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.71 -40.43 82.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.786 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.568 HD11 ' CG ' ' B' 1121 ' ' TYR . 81.9 mt -103.59 26.87 7.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.511 -179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -150.92 -62.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.045 0.45 . . . . 0.0 110.456 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -83.5 -6.1 87.83 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.329 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.44 20.65 78.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.95 159.83 82.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 111.331 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 53.2 Cg_endo -70.68 -25.09 24.74 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.352 2.034 . . . . 0.0 112.094 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.739 0 CA-C-O 118.007 -1.441 . . . . 0.0 110.797 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.08 -43.31 49.11 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.683 2.255 . . . . 0.0 112.189 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -123.18 -65.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.631 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 19.3 mtm -141.79 163.94 31.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.374 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 32.2 p -69.97 162.63 67.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.406 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.75 -41.9 66.62 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.195 1.93 . . . . 0.0 111.709 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.65 -40.49 92.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.206 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -63.81 -41.3 97.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.988 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.5 mtm -62.9 -41.21 99.36 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.26 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.81 97.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.801 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -62.54 -41.36 98.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.905 0.383 . . . . 0.0 110.462 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.424 ' HE3' ' HB3' ' A' ' 55' ' ' LEU . 27.5 mtt -63.55 -40.74 97.79 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.523 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 73.5 m -63.35 -40.42 97.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.668 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.28 -42.57 99.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -67.36 -40.96 85.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.955 0.407 . . . . 0.0 110.594 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.761 HD13 ' CE1' ' B' 1115 ' ' HIS . 88.2 mt -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.722 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.7 m -63.24 -43.56 97.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.405 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -64.27 -39.37 93.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.73 166.18 53.31 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -58.21 140.49 94.46 Favored 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.898 2.399 . . . . 0.0 111.995 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' B' 1074 ' ' ALA . . . -112.3 -11.87 13.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 55.8 t -61.7 -43.6 97.41 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.704 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' B' 1077 ' ' ALA . 92.4 mt -64.39 -25.23 67.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' B' 1071 ' ' ALA . . . -58.18 -34.51 70.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.236 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 72.9 p -126.39 158.94 34.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 49.88 36.47 11.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.521 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' 1073 ' ' LEU . . . -159.87 -66.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 53.18 82.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.669 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.2 146.31 44.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.471 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -94.11 0.95 67.03 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 79.7 p -69.93 -20.62 63.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.56 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.86 -14.74 16.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.016 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -53.48 -20.58 4.97 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.738 0.304 . . . . 0.0 110.968 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -62.23 144.23 55.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.027 0.442 . . . . 0.0 110.131 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -89.73 76.52 7.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.681 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.439 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.2 mt -101.39 -0.16 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.947 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 93.7 p -69.6 -11.02 60.5 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 110.447 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -94.0 -11.07 31.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.763 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.6 m0 -81.02 138.39 36.03 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 110.343 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -64.0 158.07 23.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.61 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 50.6 t80 -55.69 -46.53 77.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.807 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.26 94.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -63.22 -43.57 97.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.854 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.439 HD21 ' HB3' ' B' 1086 ' ' LEU . 71.4 mt -64.1 -39.85 94.95 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.466 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -59.84 -47.93 83.73 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.255 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.19 -39.11 92.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.468 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.4 m -60.99 -44.41 97.45 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.41 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.0 -46.99 95.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.79 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -62.28 -38.08 87.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.4 p -90.14 -2.33 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.117 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.54 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.9 t -71.76 128.92 37.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.089 0.471 . . . . 0.0 110.37 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 13.7 p -109.51 -4.66 16.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.606 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -112.45 138.6 48.97 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.95 0.405 . . . . 0.0 110.655 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.455 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.3 pt -69.43 -27.73 35.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.755 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.08 -45.62 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.183 0.516 . . . . 0.0 110.534 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 49.0 tp -65.51 -40.2 92.74 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.021 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.54 HD21 ' HB3' ' B' 1101 ' ' SER . 82.3 mt -60.72 -42.49 97.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.798 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.92 88.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.448 178.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.19 -44.69 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.991 0.424 . . . . 0.0 110.87 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 88.7 m -66.32 -40.59 90.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.599 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -61.61 -42.33 98.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.278 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -64.98 -40.95 95.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.225 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.8 tp10 -60.41 -40.96 92.85 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.131 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.493 ' HB3' HD11 ' B' 1066 ' ' LEU . 3.9 m-30 -62.89 -43.21 99.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.344 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.761 ' CE1' HD13 ' B' 1066 ' ' LEU . 63.0 m-70 -62.5 -44.79 95.52 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.836 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -64.69 -41.87 95.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.952 0.406 . . . . 0.0 110.529 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -64.39 -41.98 96.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.849 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.78 -41.0 98.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.56 -45.81 92.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 120.916 0.389 . . . . 0.0 110.86 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 78.8 t -63.66 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.502 ' CG ' HD11 ' A' ' 55' ' ' LEU . 87.9 t80 -58.59 -47.72 83.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.047 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.5 -46.19 91.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.442 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.45 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.475 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.72 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 72.3 t90 -60.77 -45.02 95.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.243 0.544 . . . . 0.0 110.874 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -59.44 -39.48 83.73 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 67.6 m -79.75 -20.46 46.3 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -71.34 -32.97 69.17 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 9.9 p30 -99.81 -37.49 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.863 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.97 -40.39 71.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.06 0.457 . . . . 0.0 110.171 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -116.51 136.89 52.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.872 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.78 -42.1 99.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.737 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -61.95 -39.76 93.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.277 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.43 -42.15 98.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.571 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.97 -42.68 99.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.61 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.72 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -40.25 97.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.343 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -62.32 -44.08 97.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.796 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.0 -40.35 93.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.931 0.395 . . . . 0.0 110.326 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.5 mt -59.94 -41.48 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.891 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' B' 1121 ' ' TYR . 84.9 mt -101.65 28.13 5.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.362 -179.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -150.71 -61.82 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.153 0.501 . . . . 0.0 110.605 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.71 -2.54 75.55 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.44 21.13 75.92 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.81 160.28 83.08 Favored Pre-proline 0 C--N 1.331 -0.231 0 C-N-CA 121.089 -0.244 . . . . 0.0 110.905 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.4 Cg_endo -71.57 -25.24 21.21 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.529 2.153 . . . . 0.0 112.432 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.842 -179.758 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.8 -25.85 45.53 Favored 'Trans proline' 0 C--N 1.308 -1.574 0 C-N-CA 122.702 2.268 . . . . 0.0 112.264 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 33.8 mttt 47.59 36.29 5.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 7.9 mtm -84.17 150.84 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.9 p -71.59 162.13 74.73 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.991 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.47 -43.16 56.66 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.187 1.925 . . . . 0.0 111.832 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.81 -41.19 87.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -63.55 -42.48 98.37 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.306 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.99 -40.48 96.49 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.19 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.426 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.25 -41.65 98.62 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.956 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.31 -41.89 98.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.516 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -64.07 -39.58 94.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.669 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.574 ' HB3' HD11 ' B' 1118 ' ' LEU . 32.3 mtt -61.32 -42.73 99.15 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.549 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -62.32 -42.6 99.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.565 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.32 -41.16 96.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -66.61 -39.72 88.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.091 0.472 . . . . 0.0 110.594 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.86 -41.64 97.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.819 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 96.3 p -66.49 -38.2 86.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.534 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.78 -40.39 97.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.488 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -66.17 133.08 33.63 Favored Glycine 0 CA--C 1.536 1.369 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -75.66 141.31 24.65 Favored 'Trans proline' 0 N--CA 1.497 1.722 0 C-N-CA 122.263 1.975 . . . . 0.0 112.254 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.774 ' CB ' ' HB2' ' B' 1074 ' ' ALA . . . 47.34 90.59 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.11 0 CA-C-O 121.043 0.449 . . . . 0.0 110.869 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 62.9 t -58.69 -44.34 89.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.281 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 72.7 mt -107.94 40.09 1.81 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.774 ' HB2' ' CB ' ' B' 1071 ' ' ALA . . . -59.18 -37.68 77.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.206 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 69.1 p -116.71 159.45 22.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.0 10.43 41.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.742 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 55.08 46.56 23.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.932 0.396 . . . . 0.0 110.645 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.92 -39.41 89.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.71 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -135.93 165.66 25.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.622 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 83.88 22.95 54.28 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 99.4 m -58.61 -38.48 78.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.64 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -59.63 -43.2 93.92 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.319 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.19 -29.37 63.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.229 0.538 . . . . 0.0 110.089 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . 0.413 ' N ' ' CD1' ' B' 1084 ' ' TYR . 11.4 m-30 -68.1 -28.38 67.29 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.721 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -75.16 77.47 2.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.115 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.609 ' HB3' HD21 ' B' 1094 ' ' LEU . 71.2 mt -106.52 17.74 22.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 87.2 p -61.3 -18.1 56.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.146 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -86.19 -13.52 46.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.024 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.5 m95 -81.45 133.46 35.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.878 0.371 . . . . 0.0 110.874 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.71 159.44 13.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.76 -48.27 80.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.824 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.69 94.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.678 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.26 -43.07 99.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.609 HD21 ' HB3' ' B' 1086 ' ' LEU . 72.6 mt -64.25 -39.66 94.4 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 120.967 0.413 . . . . 0.0 110.44 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -59.6 -47.19 86.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.831 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.49 -40.23 95.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.214 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.52 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.9 m -60.3 -44.13 95.67 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.445 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.8 mt -60.23 -46.6 94.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.74 0.305 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -62.4 -36.81 83.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.749 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.5 p -89.64 -1.95 58.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.658 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.498 ' HB2' HD21 ' B' 1107 ' ' LEU . 66.2 m -61.15 130.18 45.0 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.122 0.487 . . . . 0.0 110.916 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 73.5 m -113.58 -2.85 13.73 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.605 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -127.55 151.4 48.93 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.799 0.333 . . . . 0.0 110.694 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 44.6 pt -69.56 -28.3 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.801 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.17 -44.94 90.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.091 0.472 . . . . 0.0 110.48 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.52 HD21 ' CG2' ' B' 1097 ' ' THR . 51.5 tp -66.11 -40.53 90.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.012 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.498 HD21 ' HB2' ' B' 1101 ' ' SER . 76.5 mt -61.25 -42.63 98.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.66 -31.45 71.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.377 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.87 88.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.978 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.445 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.4 m -69.6 -40.18 76.82 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.539 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -62.58 -42.04 99.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.975 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.37 -43.21 95.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.359 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -63.88 -41.3 97.78 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.532 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.34 -43.46 98.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.748 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -61.14 -47.58 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.815 0.341 . . . . 0.0 110.527 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -63.8 -41.7 97.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.53 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.6 mtt180 -63.1 -41.55 99.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.763 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.574 HD11 ' HB3' ' B' 1062 ' ' MET . 73.5 mt -62.33 -39.81 94.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.263 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 16.8 tptm -61.32 -44.26 97.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.495 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -64.13 -40.51 89.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.049 0.452 . . . . 0.0 110.082 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.611 ' HB2' HD21 ' A' ' 55' ' ' LEU . 75.5 t80 -58.29 -48.3 80.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.356 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.79 -45.15 95.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.194 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.66 92.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.82 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 64.5 t90 -61.31 -46.1 91.68 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.296 0.569 . . . . 0.0 110.414 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.82 -36.39 78.93 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.021 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 44.1 t -66.73 -41.46 87.86 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.865 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -65.68 -29.81 70.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.054 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -92.35 -39.73 11.31 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 0.0 111.881 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -72.01 -39.61 69.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.363 0.601 . . . . 0.0 110.153 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -123.1 137.88 54.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.729 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.8 mt . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.56 -40.92 96.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.397 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.23 -39.51 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.112 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -63.45 -40.67 97.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.28 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.53 -42.93 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 110.717 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.82 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.55 -39.99 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.35 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.39 -44.67 96.74 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.739 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.63 93.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.942 0.401 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.1 -41.28 85.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.946 0.403 . . . . 0.0 110.624 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' B' 1121 ' ' TYR . 86.8 mt -101.57 26.07 7.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.644 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -150.31 -62.08 0.2 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.017 0.437 . . . . 0.0 110.351 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.19 -4.55 86.41 Favored Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.3 21.45 77.3 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.474 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.24 159.35 83.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 111.009 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.474 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.2 Cg_endo -72.98 -21.46 20.78 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.436 2.091 . . . . 0.0 112.247 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.809 0 CA-C-O 118.049 -1.417 . . . . 0.0 110.604 -179.813 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -61.1 146.13 98.01 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.222 2.615 . . . . 0.0 111.796 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 23.4 pttp -62.98 -23.44 67.44 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.681 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . 0.401 ' HB3' ' HE2' ' B' 1053 ' ' MET . 72.4 mtp -68.25 141.12 56.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 81.9 p -71.28 157.64 89.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.042 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.4 -42.21 49.01 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.196 1.931 . . . . 0.0 111.799 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -66.44 -41.31 89.35 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.741 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -63.74 -41.87 97.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.038 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.4 mtm -63.46 -40.83 98.17 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.875 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.96 99.06 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.599 -0.441 . . . . 0.0 110.957 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.52 -42.04 98.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.777 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -64.92 -39.92 94.25 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.415 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.667 ' HB3' HD11 ' B' 1118 ' ' LEU . 31.7 mtt -61.58 -42.86 99.46 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.746 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.1 t -62.76 -43.39 98.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 0.0 110.505 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.75 -41.85 98.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.144 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -66.65 -40.62 88.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.977 0.418 . . . . 0.0 110.432 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.19 -41.54 97.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.484 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 75.5 m -64.35 -41.42 96.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.682 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -62.89 -41.16 99.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -88.93 171.63 39.35 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -59.44 141.61 97.76 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.93 2.42 . . . . 0.0 111.945 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.663 ' O ' HG23 ' B' 1075 ' ' THR . . . -118.31 -43.0 2.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.033 0.444 . . . . 0.0 110.783 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.3 t -61.63 -45.92 97.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.746 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.3 -40.19 95.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.714 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.92 93.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.814 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.663 HG23 ' O ' ' B' 1071 ' ' ALA . 80.9 p -68.9 -41.43 78.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.508 -179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.83 -40.25 96.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.677 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.3 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.687 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 46.56 32.05 1.53 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -156.16 160.18 39.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.755 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 154.49 -49.17 0.5 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 11.4 t -77.69 -14.02 59.73 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.669 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 5.2 mptt -97.6 -28.53 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.673 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -108.53 132.65 53.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.212 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -94.59 76.73 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.555 ' HB3' HD21 ' B' 1094 ' ' LEU . 62.0 mt -101.05 -3.89 28.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.852 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.0 p -68.46 -14.2 62.84 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 120.994 -0.282 . . . . 0.0 110.353 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -108.34 12.32 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.86 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m0 -97.52 133.55 41.94 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 121.054 0.454 . . . . 0.0 111.106 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -62.13 162.17 9.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.815 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.26 -46.44 83.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.893 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.86 93.97 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.24 -42.36 99.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.075 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.555 HD21 ' HB3' ' B' 1086 ' ' LEU . 64.4 mt -64.35 -39.48 93.97 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.372 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -59.0 -49.54 77.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.328 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.77 -38.74 91.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.081 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.585 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -60.63 -45.54 93.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.693 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.23 -47.97 91.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.691 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -62.36 -38.24 88.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 80.5 p -88.48 -1.65 58.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.708 ' OG ' HD21 ' B' 1107 ' ' LEU . 64.0 p -56.64 131.47 49.05 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.22 0.533 . . . . 0.0 110.821 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 71.1 m -115.65 -4.46 12.21 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.291 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -130.18 143.77 50.97 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.939 0.4 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.463 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -67.0 -27.43 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.6 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.74 -44.23 94.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.182 0.515 . . . . 0.0 110.442 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.585 HD21 ' CG2' ' B' 1097 ' ' THR . 50.0 tp -65.51 -41.63 92.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.113 179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.708 HD21 ' OG ' ' B' 1101 ' ' SER . 48.3 mt -60.6 -42.47 96.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.141 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.68 87.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.976 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.15 97.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.858 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 90.0 m -64.73 -41.91 95.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.406 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -61.66 -43.56 98.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.342 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.1 -42.65 96.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.299 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -62.68 -41.6 99.19 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.526 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.499 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -62.45 -45.02 94.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.618 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -61.63 -47.36 85.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.821 0.344 . . . . 0.0 110.577 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -63.67 -42.89 98.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.763 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.05 -41.3 95.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.126 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.667 HD11 ' HB3' ' B' 1062 ' ' MET . 68.9 mt -63.16 -40.89 98.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.406 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -63.6 -41.69 98.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.9 t -64.47 -41.16 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 109.92 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.53 ' HB2' HD21 ' A' ' 55' ' ' LEU . 74.4 t80 -59.12 -48.31 82.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.415 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -60.39 -47.59 85.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.201 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.34 -40.21 93.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.774 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.679 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.7 t90 -60.01 -45.92 91.2 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 120.699 0.285 . . . . 0.0 110.46 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -60.93 -41.58 96.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.917 0.389 . . . . 0.0 110.623 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 60.1 p -64.08 -32.64 74.27 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -69.27 -40.51 77.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 0.0 110.79 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -91.22 -3.18 57.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.586 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -123.76 -61.04 1.41 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.044 0.449 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -78.24 160.83 27.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.239 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.132 -0.937 . . . . 0.0 110.457 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 48' ' ' ASN . 80.1 mt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -62.38 -42.96 99.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.535 ' H ' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.04 -39.04 90.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.045 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.94 -41.01 97.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.504 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.01 -42.39 99.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.59 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.679 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.09 -39.93 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.58 -43.52 98.71 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.623 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -39.9 92.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.3 -41.37 86.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.468 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' B' 1121 ' ' TYR . 84.8 mt -98.5 22.35 9.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.135 -178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -150.23 -60.58 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.141 0.496 . . . . 0.0 110.95 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -81.86 -7.82 87.5 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 19.39 77.69 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.11 159.36 85.64 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-O 120.645 0.26 . . . . 0.0 110.759 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 70.2 Cg_endo -74.96 -18.16 19.07 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.383 2.056 . . . . 0.0 112.261 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.947 -1.474 . . . . 0.0 110.868 -179.832 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.6 141.76 90.84 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 123.117 2.545 . . . . 0.0 111.737 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -63.87 -24.77 67.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.55 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.4 mtm -66.42 141.72 57.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.695 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 29.6 p -69.23 162.09 68.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.189 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -51.18 -42.67 52.63 Favored 'Trans proline' 0 C--N 1.308 -1.601 0 C-N-CA 122.357 2.038 . . . . 0.0 111.888 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.06 -41.16 86.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.362 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -62.72 -43.16 99.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.939 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.7 mtm -62.82 -41.52 99.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.366 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.438 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -65.53 -43.33 90.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.969 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.33 -41.17 96.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -45.64 93.2 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.653 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 77.6 mtm -64.76 -39.8 94.23 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.903 0.382 . . . . 0.0 110.503 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 72.6 m -62.65 -41.5 99.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.662 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.67 -41.38 99.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -64.72 -39.42 93.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.063 0.458 . . . . 0.0 110.559 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.759 HD13 ' CE1' ' B' 1115 ' ' HIS . 81.9 mt -63.76 -41.24 98.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.597 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 89.3 p -66.33 -37.87 86.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -63.65 -40.19 96.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.796 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.99 166.93 53.18 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.88 149.14 72.06 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.712 2.274 . . . . 0.0 112.177 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -116.21 22.68 12.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.634 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.618 HG12 ' HG ' ' B' 1073 ' ' LEU . 80.3 t -104.68 124.75 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 110.494 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.618 ' HG ' HG12 ' B' 1072 ' ' VAL . 78.3 mt 57.23 21.78 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.721 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.44 -35.65 76.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.312 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.495 HG23 ' N ' ' B' 1076 ' ' LYS . 9.9 t -62.11 -43.25 99.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.583 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . 0.495 ' N ' HG23 ' B' 1075 ' ' THR . 67.5 mttm -62.03 -41.25 97.91 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.55 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.42 ' O ' HG23 ' B' 1081 ' ' THR . . . -62.71 -42.57 99.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . 0.523 ' HB1' ' CD ' ' B' 1112 ' ' GLU . . . -61.71 -41.56 97.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.73 92.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.173 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -83.21 -10.98 81.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . 0.647 HG21 ' HB3' ' B' 1108 ' ' ALA . 76.0 p -114.39 5.14 15.57 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.835 0.35 . . . . 0.0 110.651 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -68.57 -20.34 64.52 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 120.739 0.304 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -62.97 -21.38 66.07 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.114 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . 0.407 ' HD1' ' HB2' ' B' 1109 ' ' ALA . 42.0 m-85 -77.89 125.04 28.75 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.0 0.429 . . . . 0.0 110.716 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.0 t0 -90.12 76.72 6.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.289 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.658 ' HB3' HD21 ' B' 1094 ' ' LEU . 56.2 mt -100.17 -3.07 32.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.704 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.1 p -64.24 -17.3 63.46 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.445 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 64.1 mtpt -94.98 -10.91 29.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.676 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 10.9 m0 -77.43 134.74 38.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.701 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.48 159.06 16.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.122 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 48.8 t80 -56.87 -47.2 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.959 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -39.95 94.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.574 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -63.67 -44.43 93.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.711 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.658 HD21 ' HB3' ' B' 1086 ' ' LEU . 63.9 mt -65.04 -39.48 93.41 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.444 179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -60.27 -47.28 86.68 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.068 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.61 -38.7 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.154 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.417 ' CG2' HD21 ' B' 1106 ' ' LEU . 96.4 m -61.73 -44.68 96.45 Favored 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.743 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.626 HD11 ' HB3' ' B' 1110 ' ' CYS . 90.9 mt -62.02 -45.16 99.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.976 0.417 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.54 -38.24 86.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.0 p -92.51 -1.78 56.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.425 ' HB3' HD21 ' B' 1107 ' ' LEU . 38.1 t -68.4 128.28 36.02 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.518 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 17.3 p -113.38 0.28 14.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.756 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -114.94 136.91 52.59 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.662 0.268 . . . . 0.0 110.296 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.427 ' HA ' HD12 ' B' 1107 ' ' LEU . 16.7 tt -64.32 -34.88 72.06 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.86 -44.38 96.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.417 HD21 ' CG2' ' B' 1097 ' ' THR . 56.9 tp -64.93 -40.78 95.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.0 0.429 . . . . 0.0 110.227 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' 1104 ' ' ILE . 76.5 mt -61.13 -42.49 98.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.689 -179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . 0.647 ' HB3' HG21 ' B' 1081 ' ' THR . . . -65.47 -35.13 79.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.349 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.533 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.46 -43.76 96.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.538 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.626 ' HB3' HD11 ' B' 1098 ' ' ILE . 85.7 m -67.25 -40.33 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -62.46 -42.15 99.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . 0.523 ' CD ' ' HB1' ' B' 1078 ' ' ALA . 88.4 tt0 -64.8 -41.35 95.86 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.23 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -40.08 94.32 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.338 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -65.39 -40.07 93.0 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.759 ' CE1' HD13 ' B' 1066 ' ' LEU . 60.7 m-70 -61.32 -44.32 97.39 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.604 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.74 -41.89 87.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -64.74 -41.14 96.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.242 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.438 HD21 ' HA ' ' B' 1059 ' ' ALA . 61.3 mt -63.52 -41.01 98.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.588 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 45.9 tttp -62.22 -45.07 94.99 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.635 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 74.1 t -61.65 -42.22 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.077 0.465 . . . . 0.0 110.059 -179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.475 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 92.1 t80 -59.18 -46.99 86.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.358 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.81 -46.34 89.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.235 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.23 99.23 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 78.9 t90 -61.29 -45.34 94.89 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.819 0.342 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . 0.409 ' HE2' ' HH ' ' B' 1121 ' ' TYR . 14.3 mmmt -61.87 -40.58 95.87 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.102 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 83.4 p -64.86 -36.16 83.46 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.407 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.22 -46.17 78.16 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.222 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -72.61 -38.06 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.542 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -85.21 -66.89 0.85 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 49.0 tptt -75.24 129.16 36.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.309 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.614 179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.5 -41.9 99.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.793 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.45 -38.84 88.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.143 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.06 -41.47 99.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.357 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.94 -42.61 99.31 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.727 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.28 -40.43 97.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.324 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.57 -43.75 96.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.391 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.73 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.96 0.409 . . . . 0.0 110.653 179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.9 -41.07 84.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.831 0.348 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.445 HD21 ' HB2' ' B' 1121 ' ' TYR . 77.2 mt -103.21 27.57 7.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.019 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -149.74 -62.16 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.019 0.438 . . . . 0.0 110.445 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.54 -3.83 80.73 Favored Glycine 0 CA--C 1.533 1.163 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.21 20.1 74.7 Favored Glycine 0 CA--C 1.522 0.478 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.18 158.79 83.67 Favored Pre-proline 0 C--N 1.329 -0.293 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.192 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.13 -38.52 66.47 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.558 2.172 . . . . 0.0 112.32 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.732 0 CA-C-O 117.948 -1.473 . . . . 0.0 110.965 -179.484 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.35 138.44 84.41 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.86 2.373 . . . . 0.0 112.058 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 65.2 pttt -70.75 -26.56 63.42 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.181 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 21.6 mtm -88.78 153.15 21.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.299 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 69.4 p -70.69 157.9 89.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.223 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -49.07 -40.44 41.37 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.281 1.987 . . . . 0.0 111.886 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -41.28 95.79 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.444 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -64.61 -40.87 96.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.4 mtm -63.89 -40.33 96.25 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 119.99 -0.684 . . . . 0.0 110.187 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.414 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.71 -41.57 99.21 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.439 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -61.96 -41.8 98.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.363 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -64.05 -39.72 94.7 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.433 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 33.6 mtt -61.51 -42.38 98.72 Favored 'General case' 0 CA--C 1.52 -0.173 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.551 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.4 t -61.64 -45.33 94.5 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.263 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.86 -41.0 99.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -68.02 -40.3 82.95 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.532 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.727 HD11 ' HB3' ' B' 1114 ' ' PHE . 79.0 mt -64.11 -42.54 96.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 48.4 t -64.3 -46.49 83.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.953 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -64.63 -40.48 95.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.314 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -72.66 158.91 53.42 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.08 149.68 46.89 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.565 2.176 . . . . 0.0 112.181 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -143.55 88.21 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.788 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.466 HG12 ' HG ' ' B' 1073 ' ' LEU . 83.3 t -127.8 122.67 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.633 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.667 HD22 ' HE2' ' B' 1076 ' ' LYS . 43.7 mt 46.34 44.1 12.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.367 0.603 . . . . 0.0 111.022 179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -62.86 -39.29 93.97 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.465 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 92.9 m -60.97 -45.36 95.08 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.784 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . 0.667 ' HE2' HD22 ' B' 1073 ' ' LEU . 50.5 mtmt -62.81 -38.52 91.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.719 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.45 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.54 94.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.056 0.455 . . . . 0.0 110.697 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . 60.54 11.73 3.19 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.239 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 70.53 19.15 76.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.99 -48.91 2.95 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.697 0.284 . . . . 0.0 110.822 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 56.3 mtmt 53.41 57.48 6.14 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.413 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.21 -38.52 83.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -57.91 130.4 46.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.226 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.7 84.69 6.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.028 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.55 ' HB3' HD21 ' B' 1094 ' ' LEU . 44.0 mt -119.27 -17.71 8.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.764 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 84.9 p -60.7 -20.9 62.18 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.837 0.351 . . . . 0.0 110.491 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 59.1 mtmt -99.5 -1.73 37.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.02 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 12.3 m0 -81.1 139.01 35.91 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.117 0.484 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -63.5 160.28 16.8 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 59.7 t80 -57.55 -46.59 83.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.75 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.51 93.77 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.493 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.97 -42.53 99.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.987 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.55 HD21 ' HB3' ' B' 1086 ' ' LEU . 67.6 mt -64.81 -39.1 93.03 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.489 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -58.88 -49.46 77.68 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.084 0.468 . . . . 0.0 109.829 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -63.4 -38.64 91.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.598 ' CG2' HD21 ' B' 1106 ' ' LEU . 95.1 m -60.61 -43.9 96.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.457 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.1 mt -60.86 -46.66 95.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.005 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -61.74 -38.54 88.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 81.7 p -89.91 -1.68 58.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.413 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 42.1 t -72.49 123.71 23.69 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.117 0.484 . . . . 0.0 110.758 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.3 m -113.06 -2.71 14.13 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.654 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -113.94 140.84 48.06 Favored 'General case' 0 N--CA 1.46 0.063 0 CA-C-O 120.728 0.299 . . . . 0.0 110.694 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.45 ' HA ' HD12 ' B' 1107 ' ' LEU . 43.4 pt -68.9 -28.0 37.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.09 -44.48 92.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.103 0.478 . . . . 0.0 110.632 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.598 HD21 ' CG2' ' B' 1097 ' ' THR . 52.3 tp -67.12 -40.4 86.83 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.08 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.45 HD12 ' HA ' ' B' 1104 ' ' ILE . 87.1 mt -60.32 -42.55 95.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.285 -179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.61 94.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.268 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.45 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.54 -47.96 81.61 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.178 -0.464 . . . . 0.0 112.065 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 27.2 p -72.18 -34.82 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.547 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 52.6 ttm-85 -60.97 -47.18 87.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.374 0.607 . . . . 0.0 110.289 179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -63.58 -40.72 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.103 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.39 -41.43 93.8 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.026 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.727 ' HB3' HD11 ' B' 1066 ' ' LEU . 2.7 m-85 -61.07 -44.63 97.09 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.586 -179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.517 ' CE1' HD13 ' B' 1066 ' ' LEU . 90.5 m-70 -63.88 -42.79 97.41 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -66.28 -42.03 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.978 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -64.34 -42.77 96.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.722 179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.414 HD21 ' HA ' ' B' 1059 ' ' ALA . 81.6 mt -64.33 -39.64 94.31 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.335 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.06 -44.86 96.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.637 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.0 t -62.25 -42.4 95.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.953 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 71.2 t80 -59.09 -47.41 85.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.489 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.5 t60 -59.86 -46.83 88.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.365 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.661 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.2 t90 -59.66 -46.16 89.87 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 120.843 0.354 . . . . 0.0 110.395 179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -56.83 -44.54 82.15 Favored 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 120.463 -0.495 . . . . 0.0 110.631 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 69.9 m -60.13 -38.06 81.94 Favored 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.613 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -59.64 -41.62 90.93 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.054 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 10.1 p30 -101.29 9.16 42.0 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.402 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -127.33 -62.58 1.09 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.98 0.419 . . . . 0.0 110.903 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -69.02 129.89 41.21 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.3 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.504 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.633 HD12 ' OD2' ' A' ' 49' ' ' ASP . 89.4 mt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.51 -42.08 99.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.765 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.28 -39.6 93.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.31 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.633 ' OD2' HD12 ' A' ' 46' ' ' ILE . 97.0 m-20 -63.35 -40.58 97.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.54 -42.86 99.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.513 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.661 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.06 -39.59 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.452 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -61.35 -43.48 98.8 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.533 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.43 94.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.447 . . . . 0.0 110.466 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.62 -42.35 91.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.9 mt -98.89 21.42 11.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.998 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -144.34 -61.39 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.64 -5.78 81.21 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.53 21.1 76.06 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.78 151.33 91.06 Favored Pre-proline 0 C--N 1.332 -0.189 0 C-N-CA 121.202 -0.199 . . . . 0.0 110.933 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.99 53.37 4.0 Favored 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.223 1.949 . . . . 0.0 111.77 178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 117.964 -1.465 . . . . 0.0 110.92 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 20.0 mtt180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.48 149.2 68.39 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.679 2.252 . . . . 0.0 111.761 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.66 0.75 51.81 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.654 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.1 mtm -93.11 159.25 15.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 47.5 p -68.72 161.13 73.55 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.93 -40.85 74.54 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 122.45 2.1 . . . . 0.0 111.952 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.62 -41.8 87.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.469 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -64.89 -40.12 94.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.662 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 10.7 mtp -62.64 -41.14 98.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.026 0.441 . . . . 0.0 109.993 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.412 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.85 -40.78 97.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.573 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -41.24 97.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.412 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -63.0 -41.82 99.69 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.651 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.578 ' SD ' HD22 ' A' ' 55' ' ' LEU . 33.7 mtt -64.06 -39.63 94.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -40.15 96.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.01 -42.53 98.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.464 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -65.74 -40.71 92.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.21 0.529 . . . . 0.0 110.445 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.47 -40.31 95.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.667 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 46.8 t -61.89 -42.47 99.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.392 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.67 -39.64 92.14 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.621 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -76.64 179.42 49.14 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.96 140.72 94.91 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.845 2.364 . . . . 0.0 112.168 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -90.88 -7.61 51.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 98.8 t -129.38 108.82 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-O 121.046 0.451 . . . . 0.0 110.122 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.529 ' HB3' HG22 ' B' 1075 ' ' THR . 84.3 mt -63.14 -38.25 90.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.311 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' B' 1073 ' ' LEU . . . 65.78 35.88 6.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.693 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.529 HG22 ' HB3' ' B' 1073 ' ' LEU . 15.0 t -153.67 175.4 13.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.75 -39.78 95.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 50.41 27.16 2.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.538 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.78 97.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.537 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -166.05 117.94 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.516 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -109.92 -17.1 9.9 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 65.7 p -72.1 -20.66 61.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.685 0.278 . . . . 0.0 110.627 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.81 -40.77 92.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.829 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 57.2 mttm -89.78 -32.52 16.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.342 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -111.82 129.63 56.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.045 0.45 . . . . 0.0 110.559 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . 0.44 ' O ' HD23 ' B' 1086 ' ' LEU . 66.5 t0 -91.42 97.0 10.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.948 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.655 HD11 ' HB1' ' B' 1109 ' ' ALA . 35.2 mt -127.65 -21.13 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.753 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 48.3 t -59.03 -29.99 67.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.161 0.505 . . . . 0.0 110.211 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -92.09 3.92 54.25 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.322 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 14.0 m95 -95.69 132.62 40.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.283 0.563 . . . . 0.0 111.015 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -65.63 161.09 21.2 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.558 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 84.9 t80 -57.13 -46.11 82.94 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.72 95.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -43.41 98.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.613 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.504 HD13 ' HE1' ' B' 1114 ' ' PHE . 63.2 mt -62.75 -39.37 93.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.261 179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -59.94 -48.79 80.27 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.045 0.45 . . . . 0.0 110.507 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . 0.471 ' O ' HG22 ' B' 1100 ' ' THR . 97.9 m-20 -64.13 -38.59 91.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.212 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.3 m -61.61 -46.27 90.55 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.563 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.532 HD11 ' HB3' ' B' 1110 ' ' CYS . 97.1 mt -63.34 -48.71 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.013 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.071 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . 0.471 HG22 ' O ' ' B' 1096 ' ' ASP . 3.6 t -89.61 -1.69 58.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.018 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.495 ' HB3' HD21 ' B' 1107 ' ' LEU . 45.8 t -62.2 138.16 58.37 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.891 0.377 . . . . 0.0 110.616 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 98.0 m -120.67 18.49 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.689 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 37.6 t0 -148.29 149.29 31.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.506 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 41.7 pt -70.77 -27.55 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.694 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.16 -46.92 84.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 121.047 0.451 . . . . 0.0 110.665 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 45.1 tp -66.41 -40.71 89.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.166 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.495 HD21 ' HB3' ' B' 1101 ' ' SER . 85.1 mt -60.95 -43.54 98.55 Favored 'General case' 0 CA--C 1.528 0.096 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.009 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -65.1 -36.07 83.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.07 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.655 ' HB1' HD11 ' B' 1086 ' ' LEU . . . -63.27 -44.14 95.98 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.126 0.488 . . . . 0.0 110.861 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.532 ' HB3' HD11 ' B' 1098 ' ' ILE . 88.0 m -65.81 -40.12 91.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.017 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.52 -41.95 98.09 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.11 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -66.79 -40.32 88.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.166 179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -62.09 -40.95 97.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.218 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.504 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.01 -44.64 91.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.605 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -61.28 -47.53 85.58 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.693 0.283 . . . . 0.0 110.63 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -62.72 -42.98 99.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.713 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -64.06 -41.46 97.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.767 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.472 HD11 ' CB ' ' B' 1062 ' ' MET . 73.7 mt -63.89 -40.29 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.809 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.41 -45.99 91.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 70.7 t -61.98 -40.18 86.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.058 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.47 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 91.0 t80 -59.05 -47.12 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 56.8 m170 -61.31 -42.44 98.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.132 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.92 99.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.325 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.761 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -61.37 -45.51 94.08 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -62.53 -38.3 89.46 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.736 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 72.7 m -62.71 -39.97 95.7 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.243 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -66.47 -47.35 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.146 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.24 -39.68 74.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.492 . . . . 0.0 111.29 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -71.5 -40.73 69.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.372 0.606 . . . . 0.0 110.411 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -131.78 137.03 48.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.645 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.57 -43.05 99.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -61.76 -39.68 92.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.245 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.9 -40.84 98.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.453 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -61.99 -42.21 98.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.023 0.44 . . . . 0.0 110.511 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.761 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -41.67 99.4 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.458 179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -62.16 -43.65 98.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.422 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.11 89.24 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.61 -41.06 86.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.675 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.578 HD22 ' SD ' ' B' 1062 ' ' MET . 97.4 mt -102.09 27.57 6.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.553 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -150.47 -61.87 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.105 0.479 . . . . 0.0 110.647 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.61 -3.32 81.07 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.6 75.97 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.94 158.12 88.27 Favored Pre-proline 0 N--CA 1.453 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.801 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.44 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.0 Cg_endo -71.72 -20.83 25.97 Favored 'Trans proline' 0 C--N 1.302 -1.895 0 C-N-CA 122.544 2.163 . . . . 0.0 112.356 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.732 0 CA-C-O 118.029 -1.429 . . . . 0.0 110.749 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.23 143.19 52.53 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.936 2.424 . . . . 0.0 111.911 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -69.27 -25.79 64.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.757 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 9.7 mtm -74.54 144.05 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.66 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 43.9 p -72.36 161.05 81.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.48 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -51.39 -43.36 50.07 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.562 2.174 . . . . 0.0 111.927 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -66.63 -41.27 88.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.526 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -63.33 -41.29 98.88 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 74.0 mtm -63.19 -41.72 99.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.435 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.97 -40.13 96.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.688 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.85 -42.67 99.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -64.19 -40.41 96.05 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.827 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.414 ' HB3' HD11 ' B' 1118 ' ' LEU . 30.2 mtt -62.88 -41.69 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.446 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.88 -40.96 99.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -61.34 -42.8 99.27 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -66.67 -40.97 88.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.085 0.469 . . . . 0.0 110.651 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.27 -39.98 93.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.676 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.9 t -62.03 -44.62 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.585 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -61.65 -41.97 98.25 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -85.75 168.59 41.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -70.89 148.16 57.16 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.866 2.377 . . . . 0.0 112.157 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -177.8 27.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.675 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 53.0 t -61.59 -45.1 99.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.662 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.771 ' O ' HG23 ' B' 1075 ' ' THR . 82.9 mt -63.02 -39.64 95.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 55.87 26.79 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.595 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.771 HG23 ' O ' ' B' 1073 ' ' LEU . 44.1 p -127.25 -47.95 1.46 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.103 0.478 . . . . 0.0 110.66 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 54.7 30.49 13.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.504 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . 50.81 24.35 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 45.87 37.42 3.55 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.626 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -148.71 165.72 30.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 -179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 101.59 -17.0 55.91 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 5.8 t -109.74 -29.42 8.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.8 0.333 . . . . 0.0 110.429 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -62.6 -39.37 93.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -64.54 -21.28 66.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -108.48 131.05 55.2 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.04 0.447 . . . . 0.0 110.43 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.08 76.99 7.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.129 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.662 ' HB3' HD21 ' B' 1094 ' ' LEU . 64.5 mt -105.96 -7.75 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.982 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 95.5 p -64.0 -16.56 61.89 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -102.04 -12.22 18.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.73 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.3 m95 -73.73 135.54 43.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.796 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -64.35 160.31 19.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.695 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -57.44 -47.04 82.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.038 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.16 -39.52 94.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -63.61 -42.83 98.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.412 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.6 mt -63.26 -39.57 94.97 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.546 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -59.48 -47.75 84.29 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.188 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.05 -38.68 91.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.173 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.668 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.0 m -61.46 -44.51 96.97 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.573 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 90.0 mt -60.78 -46.84 95.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.788 0.328 . . . . 0.0 110.851 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.04 -37.12 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.023 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 75.0 p -90.86 -1.52 57.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.494 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.7 t -72.33 125.58 27.71 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.037 0.446 . . . . 0.0 110.208 -179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 87.9 m -108.15 -3.39 18.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.8 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -113.66 141.38 47.29 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 110.573 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.402 ' HA ' HD12 ' B' 1107 ' ' LEU . 45.6 pt -70.11 -26.64 30.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.92 -47.23 81.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.069 0.461 . . . . 0.0 110.456 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.668 HD21 ' CG2' ' B' 1097 ' ' THR . 51.6 tp -65.12 -40.84 95.07 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.255 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' B' 1101 ' ' SER . 81.1 mt -60.41 -42.0 95.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.873 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.56 84.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.209 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.417 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.57 -43.81 95.93 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.65 -179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 86.1 m -66.13 -40.49 90.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.33 -43.1 99.6 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -67.41 -40.04 85.56 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.355 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -62.82 -41.06 99.15 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.508 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.489 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.4 m-30 -63.48 -44.78 93.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.382 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.11 -47.32 85.11 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.618 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -62.78 -43.99 97.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -62.72 -41.97 99.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.849 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.435 HD21 ' HA ' ' B' 1059 ' ' ALA . 67.4 mt -63.31 -41.04 98.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.669 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -60.95 -44.67 96.96 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.395 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 77.1 t -62.08 -40.98 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.904 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.575 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.1 t80 -59.71 -48.34 82.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -60.97 -48.43 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.56 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.89 -37.97 84.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.595 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.623 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 66.6 t90 -58.34 -47.48 83.63 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 120.69 0.281 . . . . 0.0 110.34 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -62.97 -38.66 92.02 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.517 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.8 m -60.95 -40.03 91.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.115 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -65.49 -48.73 71.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -67.23 -39.85 86.26 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.079 0.466 . . . . 0.0 111.215 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -69.72 -38.41 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.595 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 60.1 tptt -83.72 120.84 26.5 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.856 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 48' ' ' ASN . 97.6 mt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.8 -42.39 98.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.705 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.472 ' H ' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -62.07 -39.45 92.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.551 179.682 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -62.42 -42.69 99.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.397 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.52 -42.31 99.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.631 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.13 -39.74 94.68 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.689 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -61.36 -45.06 95.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.717 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.04 91.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HA3' ' A' ' 61' ' ' GLY . 85.1 mt -60.59 -40.78 85.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' B' 1121 ' ' TYR . 81.4 mt -101.62 26.3 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -178.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -151.6 -63.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.235 0.54 . . . . 0.0 110.845 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.22 -6.29 88.91 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.57 20.07 76.87 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.709 -0.956 . . . . 0.0 110.709 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.9 158.74 85.54 Favored Pre-proline 0 N--CA 1.454 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.043 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.2 Cg_endo -72.15 -23.63 21.08 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.674 2.249 . . . . 0.0 112.382 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.483 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.93 -1.483 . . . . 0.0 110.902 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.23 149.15 63.45 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.017 2.478 . . . . 0.0 112.023 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -69.09 -27.46 65.62 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 74.5 mtp -59.01 136.84 58.07 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.0 p -70.31 161.66 74.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -51.68 -42.05 58.56 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.018 1.812 . . . . 0.0 111.673 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -66.73 -40.59 88.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.681 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.9 -42.99 97.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.891 0.376 . . . . 0.0 110.779 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -63.99 -39.7 94.72 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.71 -40.72 98.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.685 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.8 -42.85 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.602 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -65.38 -38.14 89.13 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.492 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.641 ' HB3' HD11 ' B' 1118 ' ' LEU . 0.0 OUTLIER -60.65 -44.47 96.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.565 -179.85 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 89.9 p -64.36 -37.81 88.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.213 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -62.78 -40.75 98.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -67.52 -36.81 81.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.147 0.498 . . . . 0.0 110.141 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.585 HD23 ' HG3' ' B' 1111 ' ' ARG . 88.4 mt -69.96 -40.54 75.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.823 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 91.2 p -68.06 -41.79 81.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.348 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.56 -28.65 46.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.94 0.4 . . . . 0.0 110.357 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -95.51 -178.47 36.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -58.31 139.59 91.15 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.935 2.423 . . . . 0.0 111.869 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -147.46 99.77 3.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.731 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 83.2 t -126.23 124.47 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.667 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' 1073 ' ' LEU . 46.4 mt -118.15 27.0 9.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.967 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.76 -32.75 69.56 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.819 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 73.5 p -126.71 170.41 12.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.772 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.8 -39.11 87.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.451 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -159.68 118.42 2.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.43 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' B' 1079 ' ' ALA . . . -72.93 -80.74 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.664 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' B' 1078 ' ' ALA . . . 176.0 -179.31 0.15 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 110.573 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 120.18 -61.42 0.5 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . 0.413 HG22 ' CD ' ' B' 1112 ' ' GLU . 1.4 t -71.91 -20.08 61.83 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.41 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 62.9 mttp -67.61 -40.48 84.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.176 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -88.6 -32.2 18.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.521 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -111.49 132.79 54.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.66 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.65 77.49 4.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.34 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.644 ' HB3' HD21 ' B' 1094 ' ' LEU . 74.7 mt -93.81 -5.57 47.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.7 p -63.89 -16.63 61.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 110.377 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -96.52 -8.67 31.43 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.954 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.7 m0 -80.81 135.16 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.947 0.403 . . . . 0.0 111.002 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.31 161.59 19.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.902 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 13.6 t80 -56.21 -46.49 79.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.788 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.66 95.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.375 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.95 -43.22 96.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' B' 1086 ' ' LEU . 62.0 mt -65.27 -39.37 92.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.814 0.34 . . . . 0.0 110.501 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -58.92 -49.46 77.74 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.813 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.68 -38.55 90.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.026 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.701 ' CG2' HD21 ' B' 1106 ' ' LEU . 94.5 m -61.24 -42.96 99.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.406 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.699 HG23 HH12 ' B' 1111 ' ' ARG . 95.1 mt -60.15 -47.47 91.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.834 0.349 . . . . 0.0 110.882 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -62.02 -38.61 89.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 77.0 p -89.0 -1.66 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.345 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . . . . . . . . . 39.8 t -71.82 121.17 18.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.109 0.48 . . . . 0.0 110.765 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 77.8 m -113.98 -2.99 13.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.533 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -113.14 143.13 44.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.719 0.295 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 45.4 pt -67.61 -28.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.739 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -44.6 90.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.454 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.701 HD21 ' CG2' ' B' 1097 ' ' THR . 59.5 tp -67.16 -40.77 86.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.217 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.64 -42.26 96.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.367 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.7 86.19 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.064 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.502 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -62.16 -47.66 83.53 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.156 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 26.2 p -71.32 -35.75 71.35 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.643 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . 0.699 HH12 HG23 ' B' 1098 ' ' ILE . 4.6 mpt_? -63.83 -43.8 95.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.144 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . 0.413 ' CD ' HG22 ' B' 1081 ' ' THR . 88.6 tt0 -63.28 -42.93 99.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.253 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -64.07 -40.53 96.47 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.48 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.537 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -61.68 -44.18 97.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.786 -179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 71.2 t60 -61.93 -48.7 79.23 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.759 0.314 . . . . 0.0 111.007 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.96 -44.24 97.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.614 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -61.13 -42.14 98.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.615 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.641 HD11 ' HB3' ' B' 1062 ' ' MET . 76.1 mt -62.89 -41.13 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.316 -0.553 . . . . 0.0 110.327 179.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -62.53 -45.33 93.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.641 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.8 t -60.82 -42.7 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.927 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.429 ' HB2' HD21 ' A' ' 55' ' ' LEU . 84.2 t80 -59.37 -46.89 87.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.278 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.69 -47.21 86.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.427 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.4 98.84 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.046 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.578 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 84.8 t90 -61.33 -46.68 89.27 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-O 120.938 0.399 . . . . 0.0 110.409 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -61.75 -38.71 88.99 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.525 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 74.7 m -61.9 -41.22 97.65 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.033 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -65.44 -45.56 83.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -71.81 -39.68 69.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.45 . . . . 0.0 111.751 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.72 -40.84 65.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.565 0.697 . . . . 0.0 110.518 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -134.48 147.09 50.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.323 -0.549 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.589 179.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.34 -41.84 98.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.565 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -61.81 -39.84 93.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.39 -40.59 96.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.43 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.69 -42.25 99.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.519 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.578 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.85 -39.86 95.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -60.75 -43.95 97.33 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.614 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.67 92.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.334 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.1 mt -59.73 -42.03 87.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.791 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' B' 1121 ' ' TYR . 83.9 mt -100.32 21.53 12.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.649 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -144.17 -62.79 0.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.081 0.467 . . . . 0.0 110.796 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -86.42 -3.3 84.45 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.537 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 20.62 77.29 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.86 159.9 84.2 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.806 0.336 . . . . 0.0 111.036 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 59.0 Cg_endo -72.28 -20.0 24.99 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.342 2.028 . . . . 0.0 112.139 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.706 0 CA-C-O 117.95 -1.472 . . . . 0.0 110.864 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.91 159.52 47.95 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.021 2.48 . . . . 0.0 111.932 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.95 -3.92 50.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.85 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 10.3 mtm -62.68 147.06 50.63 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-O 120.866 0.365 . . . . 0.0 110.432 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 49.6 p -68.61 162.22 64.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.24 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.63 -42.5 61.87 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.242 1.962 . . . . 0.0 111.948 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -68.46 -36.68 79.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.538 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -63.24 -42.86 99.26 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.18 0.514 . . . . 0.0 111.185 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.27 -39.81 94.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.806 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.518 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -62.1 -40.06 94.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.728 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.38 -42.74 99.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.65 97.45 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.698 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 29.8 mtt -61.88 -42.15 98.72 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.645 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.3 t -62.85 -43.07 99.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -41.12 97.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -66.69 -40.58 88.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.932 0.396 . . . . 0.0 110.455 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.77 -41.32 97.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.609 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.6 m -65.34 -41.2 94.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.601 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.68 -40.57 97.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.949 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -114.2 75.23 0.24 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.06 149.85 59.33 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.749 2.3 . . . . 0.0 112.213 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.502 ' HB1' ' HG ' ' B' 1073 ' ' LEU . . . -62.01 -40.96 97.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.487 ' O ' HG12 ' B' 1072 ' ' VAL . 8.9 t 46.97 30.15 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.657 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.56 ' O ' HG22 ' B' 1075 ' ' THR . 86.7 mt -63.1 -40.82 98.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . 47.96 28.52 1.44 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.75 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.56 HG22 ' O ' ' B' 1073 ' ' LEU . 8.9 t -158.0 176.37 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.757 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -99.09 4.38 46.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.06 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -60.47 146.96 42.82 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.812 0.339 . . . . 0.0 110.606 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -145.74 97.62 3.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.249 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.71 -40.08 90.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 93.7 19.34 34.92 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . 0.592 HG21 ' HG2' ' B' 1105 ' ' GLU . 76.4 p -67.21 -26.34 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.431 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -63.59 -12.29 31.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 64.6 pttt -55.39 -18.91 7.62 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.646 0.26 . . . . 0.0 111.025 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 17.6 m-30 -58.42 137.3 57.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.266 0.555 . . . . 0.0 110.09 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 66.1 t0 -87.34 78.22 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.481 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.483 ' HB3' HD21 ' B' 1094 ' ' LEU . 73.8 mt -99.14 2.8 46.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.837 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 94.9 p -68.93 -11.48 60.69 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.866 0.365 . . . . 0.0 110.451 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -94.35 -11.15 30.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.779 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -82.34 136.02 35.08 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.079 0.466 . . . . 0.0 110.7 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.8 158.39 21.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.637 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 66.6 t80 -56.35 -46.88 79.77 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.804 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.22 -43.26 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.679 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.483 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.8 mt -64.22 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.389 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -59.92 -47.65 84.92 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.131 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 64.5 t0 -65.03 -39.76 93.86 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.172 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.517 ' CG2' HD21 ' B' 1106 ' ' LEU . 97.5 m -60.01 -44.94 94.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 120.656 -0.417 . . . . 0.0 110.58 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.452 HD11 ' HB3' ' B' 1110 ' ' CYS . 93.6 mt -61.73 -45.8 97.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.807 0.337 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -61.12 -38.87 87.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.024 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 11.8 t -91.58 -2.38 57.14 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.233 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.57 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.3 t -67.6 134.6 51.49 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.005 0.431 . . . . 0.0 110.466 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 74.1 m -114.65 -5.04 12.73 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.574 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -114.68 140.28 48.98 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.014 0.435 . . . . 0.0 110.74 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.448 ' HA ' HD12 ' B' 1107 ' ' LEU . 47.2 pt -69.43 -26.96 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.692 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . 0.592 ' HG2' HG21 ' B' 1081 ' ' THR . 98.8 mt-10 -63.44 -46.45 86.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.231 0.539 . . . . 0.0 110.599 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.517 HD21 ' CG2' ' B' 1097 ' ' THR . 48.5 tp -66.2 -39.88 89.96 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.059 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.57 HD21 ' HB3' ' B' 1101 ' ' SER . 85.2 mt -60.44 -42.73 96.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.853 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.75 88.52 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.278 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.33 -43.74 96.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.452 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.9 m -66.64 -40.76 88.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.541 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.45 -42.2 99.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.177 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -65.06 -40.49 94.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.393 179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -59.34 -42.58 91.82 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.272 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -64.72 -41.16 96.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.26 -47.93 83.89 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.305 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 -64.79 -42.05 95.34 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.002 0.429 . . . . 0.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -63.21 -40.71 98.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.518 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -62.68 -41.68 99.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.736 179.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -62.95 -40.7 98.48 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.189 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 72.0 t -63.5 -41.72 93.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.0 -47.68 84.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.261 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.47 -48.34 82.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.447 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.07 99.36 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.702 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.628 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 76.5 t90 -59.88 -44.66 94.07 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 122.066 -0.396 . . . . 0.0 110.536 179.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -58.59 -46.51 86.83 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.833 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 96.9 p -59.23 -33.78 71.41 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.515 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -63.17 -44.24 96.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.948 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 10.7 p30 -99.12 8.99 44.37 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.669 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -127.5 -63.86 1.01 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.959 0.409 . . . . 0.0 110.516 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -75.36 143.24 42.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.869 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -41.35 97.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.482 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -62.32 -40.12 95.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.27 -40.64 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.542 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.74 -42.81 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 110.59 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.67 -40.1 96.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.406 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -61.33 -43.89 98.11 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.508 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.56 90.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 0.0 110.529 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.694 HD11 ' HA3' ' A' ' 61' ' ' GLY . 86.3 mt -59.48 -42.13 86.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.962 0.41 . . . . 0.0 110.744 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -101.52 26.48 7.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.396 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -147.67 -62.14 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.062 0.458 . . . . 0.0 110.526 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -88.01 -3.66 79.35 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.21 22.27 78.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -73.15 160.01 83.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.501 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 57.5 Cg_endo -72.39 -19.89 24.75 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.442 2.095 . . . . 0.0 112.43 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.694 ' HA3' HD11 ' A' ' 54' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.762 0 CA-C-O 118.008 -1.44 . . . . 0.0 110.76 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.95 147.6 92.15 Favored 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 123.135 2.557 . . . . 0.0 112.038 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 26.3 pttm -62.61 -24.23 67.47 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.999 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . 0.412 ' HB3' ' HE2' ' B' 1053 ' ' MET . 82.0 mtp -65.87 141.81 58.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.714 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 68.3 p -71.95 160.48 82.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.379 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.36 -44.35 43.9 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.259 1.973 . . . . 0.0 111.857 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . 0.42 ' CD ' ' HH ' ' B' 1121 ' ' TYR . 72.9 mm-40 -68.0 -39.33 83.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.56 179.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -61.4 -45.49 94.11 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.809 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 75.0 mtm -62.6 -40.22 96.25 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.073 -0.651 . . . . 0.0 109.955 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.9 98.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 62.5 mttp -62.44 -41.59 98.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.764 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.46 -41.71 98.96 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.795 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.608 ' HB3' HD11 ' B' 1118 ' ' LEU . 37.6 mtt -62.64 -41.61 99.13 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.335 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.3 t -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.694 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -41.35 94.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.96 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -66.13 -40.92 91.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.153 0.501 . . . . 0.0 110.362 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.85 -40.29 94.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.386 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.5 t -61.79 -43.11 99.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -61.8 -40.74 96.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.69 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -83.38 -174.93 50.72 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.47 145.6 59.31 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.741 2.294 . . . . 0.0 112.315 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -87.8 -7.63 57.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.325 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 94.6 t -118.17 118.29 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 84.3 mt -123.13 15.6 9.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.858 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.72 76.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.628 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 70.6 p -64.84 -45.22 87.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.688 -178.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 8.8 mptt -64.8 -39.75 94.11 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.741 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.56 99.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.733 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.26 -39.32 86.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.276 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.56 76.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.136 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 106.83 19.7 9.44 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 67.1 p -68.94 -29.12 67.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.093 0.473 . . . . 0.0 110.522 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.14 -13.33 57.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.078 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -54.99 -19.64 7.29 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.752 0.311 . . . . 0.0 110.929 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -64.92 134.86 54.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 110.132 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -91.9 76.45 5.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.558 ' HB3' HD21 ' B' 1094 ' ' LEU . 69.1 mt -98.35 -6.46 30.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 96.2 p -63.39 -19.95 65.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.886 0.374 . . . . 0.0 110.598 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -89.67 -8.66 51.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.027 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.4 m0 -80.93 139.54 35.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.947 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.94 159.59 19.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 60.1 t80 -57.89 -47.9 81.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.835 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.98 95.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.765 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.64 -43.17 97.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.558 HD21 ' HB3' ' B' 1086 ' ' LEU . 55.4 mt -65.37 -39.55 92.42 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.672 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.97 -47.14 87.03 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.748 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.89 -39.6 93.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.077 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 96.7 m -59.93 -44.68 94.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.569 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.66 -46.59 96.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.818 0.342 . . . . 0.0 111.146 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.31 -38.78 88.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 7.4 t -91.07 -3.1 57.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.293 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.608 ' HB3' HD21 ' B' 1107 ' ' LEU . 41.6 t -65.96 135.95 55.41 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.906 0.384 . . . . 0.0 110.919 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 83.9 m -116.09 -4.65 11.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.552 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -115.36 139.55 49.9 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.452 ' HA ' HD12 ' B' 1107 ' ' LEU . 46.0 pt -69.79 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.835 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.41 -46.19 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.061 0.458 . . . . 0.0 110.647 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 46.7 tp -66.22 -40.08 90.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.956 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.608 HD21 ' HB3' ' B' 1101 ' ' SER . 80.0 mt -60.68 -43.32 97.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.711 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.14 88.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.369 178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.73 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.715 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.417 ' SG ' HD13 ' B' 1086 ' ' LEU . 90.7 m -65.93 -41.09 91.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.652 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -61.87 -44.34 97.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.06 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.8 -39.59 91.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.542 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -63.15 -39.18 93.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.009 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.503 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.3 m-30 -64.18 -41.0 97.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.413 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -60.05 -47.03 87.54 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.098 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -60.84 -45.7 93.47 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.965 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -60.57 -42.57 96.89 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.511 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.608 HD11 ' HB3' ' B' 1062 ' ' MET . 78.7 mt -64.06 -39.63 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -60.37 -48.04 83.45 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.619 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 56.9 t -62.25 -40.92 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.019 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.537 ' CG ' HD11 ' A' ' 55' ' ' LEU . 81.9 t80 -58.32 -47.54 83.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.38 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.28 -45.79 92.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.176 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.29 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.732 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 74.6 t90 -60.31 -46.37 90.13 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.723 0.296 . . . . 0.0 110.332 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . 0.408 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 67.2 mmtt -61.89 -38.77 89.57 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.448 178.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 47.8 t -61.66 -42.23 98.63 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -64.76 -45.16 87.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.001 0.429 . . . . 0.0 111.449 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -71.04 -39.54 72.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.709 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -72.37 -40.41 67.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.693 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -130.5 138.64 50.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.898 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.696 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.2 mt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.27 -42.63 99.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -61.58 -38.86 89.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.39 -44.03 97.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.346 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -41.94 98.98 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.596 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.82 -40.0 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -61.13 -43.65 98.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.345 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -41.64 96.61 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.43 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.81 -41.59 86.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.62 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.537 HD11 ' CG ' ' B' 1121 ' ' TYR . 94.2 mt -102.15 27.93 6.25 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -156.91 -61.92 0.09 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.072 0.463 . . . . 0.0 110.438 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.34 -10.6 84.45 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.49 18.35 76.96 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.6 146.29 85.77 Favored Pre-proline 0 N--CA 1.455 -0.204 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.065 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -82.95 50.25 3.31 Favored 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.044 1.829 . . . . 0.0 112.204 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.79 0 CA-C-O 118.057 -1.413 . . . . 0.0 110.799 179.776 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.82 139.44 33.48 Favored 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 122.673 2.248 . . . . 0.0 111.896 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.95 -7.05 53.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.819 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 14.1 mtm -71.77 145.07 48.97 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.768 0.318 . . . . 0.0 110.573 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 33.4 p -69.35 160.89 77.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.86 -42.39 57.97 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.26 1.973 . . . . 0.0 111.943 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -66.34 -42.23 88.43 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.836 0.351 . . . . 0.0 110.485 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -63.66 -42.53 98.07 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.26 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 73.8 mtm -62.88 -42.17 99.67 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.376 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.423 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.43 -40.4 97.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -61.99 -42.7 99.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.687 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.59 -40.33 96.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.621 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.49 ' HB2' HD21 ' B' 1118 ' ' LEU . 29.7 mtt -62.74 -41.53 99.24 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.666 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 95.2 p -64.57 -38.3 90.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.525 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -62.35 -43.0 99.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.744 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -66.98 -40.68 87.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.011 0.434 . . . . 0.0 110.548 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.416 HD21 ' O ' ' B' 1111 ' ' ARG . 79.8 mt -64.24 -40.72 96.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.546 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 48.2 t -62.8 -43.67 98.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 14.4 mmp_? -62.08 -40.16 94.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.459 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -79.99 161.94 46.09 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.96 146.88 42.58 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.69 2.26 . . . . 0.0 112.311 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . . . . . . . . . . . -100.97 -30.42 11.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.9 t -62.25 -45.84 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.724 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.17 -25.67 66.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.599 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -58.79 -28.4 65.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.488 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 82.6 p -58.12 -64.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.813 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -65.19 -31.17 72.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.963 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.909 ' HB1' ' HB1' ' B' 1108 ' ' ALA . . . -63.52 -24.88 68.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.733 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -58.1 -35.85 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.447 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.32 -37.5 80.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . -83.71 -29.79 31.32 Favored Glycine 0 CA--C 1.518 0.274 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . 0.841 HG23 ' O ' ' B' 1077 ' ' ALA . 65.3 p -63.07 -32.63 74.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.12 -41.23 98.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -65.91 -38.46 88.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.16 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . 0.445 ' HD1' ' HB2' ' B' 1109 ' ' ALA . 9.4 m-85 -83.82 110.96 18.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.755 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.0 t0 -87.61 94.93 9.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.335 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.569 ' HB3' HD21 ' B' 1094 ' ' LEU . 26.7 mt -113.75 2.52 15.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.75 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 92.3 p -67.06 -14.04 62.51 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-O 120.99 0.424 . . . . 0.0 110.423 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -94.37 -8.15 39.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.5 m0 -84.92 133.21 34.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.63 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -61.36 161.24 9.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 70.8 t80 -57.36 -46.87 82.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.792 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.41 95.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.823 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -63.51 -44.01 95.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.626 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.569 HD21 ' HB3' ' B' 1086 ' ' LEU . 74.6 mt -64.51 -39.99 94.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.38 179.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -60.15 -48.25 82.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.071 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.26 -38.61 90.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.383 178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . . . . . . . . . 94.8 m -61.01 -44.91 96.72 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.634 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.6 mt -62.18 -46.37 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.856 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -61.39 -38.54 87.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.3 t -91.53 -3.56 56.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.092 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.443 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.5 t -65.07 134.25 53.4 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.83 0.348 . . . . 0.0 110.546 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 70.9 m -117.26 2.5 12.55 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.65 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -119.7 135.79 54.69 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.436 ' HA ' HD12 ' B' 1107 ' ' LEU . 17.9 tt -61.93 -34.99 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.25 -44.55 96.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.383 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.33 -40.91 96.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.05 0.452 . . . . 0.0 110.212 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.443 HD21 ' HB3' ' B' 1101 ' ' SER . 74.0 mt -60.77 -42.75 98.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.825 -179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . 0.909 ' HB1' ' HB1' ' B' 1077 ' ' ALA . . . -64.97 -34.69 79.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.282 178.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.656 ' HA ' HG22 ' B' 1081 ' ' THR . . . -62.17 -44.84 95.71 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.726 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.634 ' HB3' HD11 ' B' 1098 ' ' ILE . 94.8 m -68.82 -39.9 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . 0.416 ' O ' HD21 ' B' 1066 ' ' LEU . 98.3 mtt180 -61.9 -42.97 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . 0.623 ' HB2' HG21 ' B' 1081 ' ' THR . 52.3 tp10 -65.25 -42.2 93.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.284 179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -61.31 -41.23 96.66 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 120.921 0.391 . . . . 0.0 110.374 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -62.76 -44.04 97.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.828 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -60.89 -47.84 84.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 0.0 110.586 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -63.16 -42.05 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.401 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -63.51 -41.44 98.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.73 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.49 HD21 ' HB2' ' B' 1062 ' ' MET . 69.6 mt -62.74 -40.11 96.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 59.6 tptt -60.66 -46.02 91.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.779 0.323 . . . . 0.0 110.526 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 71.7 t -62.51 -40.74 89.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.95 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.528 ' CD1' HD11 ' A' ' 55' ' ' LEU . 87.2 t80 -58.96 -48.07 82.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.372 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.73 -46.85 88.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.481 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.64 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.685 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.713 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 75.6 t90 -60.61 -46.73 89.16 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 120.743 0.306 . . . . 0.0 110.476 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -62.21 -37.88 87.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.437 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 71.0 m -62.01 -39.97 94.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.109 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -68.44 -44.73 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.967 0.413 . . . . 0.0 111.024 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.54 -39.5 77.41 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -73.28 -42.08 62.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.297 0.57 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -134.89 148.06 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.22 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.079 -0.962 . . . . 0.0 110.512 179.735 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.1 mt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.13 -42.78 99.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.054 0.454 . . . . 0.0 110.693 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -61.31 -39.65 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.31 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.92 -41.64 98.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.64 -42.57 99.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.531 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.713 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.41 -40.19 95.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.448 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -62.24 -44.24 97.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.96 92.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -60.67 -40.82 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.718 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' B' 1121 ' ' TYR . 94.6 mt -101.13 25.4 8.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.24 -179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -148.9 -63.26 0.23 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.461 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -84.86 -5.64 86.07 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.25 20.2 77.95 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.8 161.0 81.5 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.775 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 56.3 Cg_endo -72.18 -21.76 23.19 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.617 2.211 . . . . 0.0 112.206 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.764 0 CA-C-O 117.958 -1.468 . . . . 0.0 110.816 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.21 -35.33 25.01 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.718 2.279 . . . . 0.0 112.26 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -122.66 -64.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.812 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.65 -172.52 4.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.845 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 44.4 p -72.75 160.92 81.66 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.71 -39.44 87.64 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.478 2.119 . . . . 0.0 111.929 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.78 -40.1 95.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.58 -40.72 97.68 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.84 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.3 mtm -63.2 -41.58 99.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.146 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.452 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -63.8 -42.59 97.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.759 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.65 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.427 ' CE ' HD22 ' A' ' 55' ' ' LEU . 77.5 mtm -65.53 -40.04 92.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.673 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 47.6 t -61.49 -43.59 98.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.541 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.41 -40.57 96.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -66.55 -39.12 88.38 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.399 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.633 ' O ' HG21 ' B' 1072 ' ' VAL . 78.3 mt -63.28 -41.69 99.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.63 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 47.7 t -63.12 -45.98 89.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.605 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.91 -40.67 97.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -45.77 102.9 0.05 OUTLIER Glycine 0 CA--C 1.535 1.312 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.43 -34.5 97.34 Favored 'Trans proline' 0 N--CA 1.499 1.847 0 C-N-CA 122.047 1.831 . . . . 0.0 112.129 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.576 ' HB3' ' NH1' ' B' 1111 ' ' ARG . . . -60.87 -22.18 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.073 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.633 HG21 ' O ' ' B' 1066 ' ' LEU . 78.2 t -60.26 -42.87 92.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . . . . . . . . . 87.3 mt 57.47 19.05 4.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.592 ' H ' HG12 ' B' 1072 ' ' VAL . . . 50.37 30.45 4.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.709 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . . . . . . . . . 4.1 t -130.67 -31.12 1.8 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.77 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . 0.451 ' NZ ' HG22 ' B' 1072 ' ' VAL . 25.4 mmtm 57.48 55.84 5.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.721 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . . . . . . . . . . . -59.58 148.2 34.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.562 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -81.87 64.56 6.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.541 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.07 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.496 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 105.36 9.07 34.42 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 70.0 p -68.85 -25.79 64.82 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.212 0.53 . . . . 0.0 110.15 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 64.5 pttt -61.67 -11.59 12.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.3 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 65.1 pttt -50.37 -22.4 1.83 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.613 0.244 . . . . 0.0 111.113 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . 0.487 ' HD1' ' HB2' ' B' 1109 ' ' ALA . 56.3 m-85 -68.14 139.5 56.15 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.976 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 65.8 t0 -88.79 76.72 7.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.687 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.565 ' HB3' HD21 ' B' 1094 ' ' LEU . 76.7 mt -101.36 0.52 37.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.007 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 97.7 p -65.53 -15.48 62.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.816 0.341 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -91.79 -10.88 38.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.2 m0 -83.17 134.96 34.95 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.998 0.428 . . . . 0.0 110.63 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -63.47 160.78 15.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.684 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 54.3 t80 -57.3 -47.21 82.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.82 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.528 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -62.73 -43.1 99.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.565 HD21 ' HB3' ' B' 1086 ' ' LEU . 73.5 mt -65.56 -39.29 91.52 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.273 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -59.57 -48.71 80.6 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.889 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.51 -38.68 91.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.988 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.628 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.2 m -60.12 -45.21 93.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.513 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.609 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.5 mt -62.08 -47.21 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.013 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -61.88 -39.22 91.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 5.6 t -89.86 -2.09 58.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.435 ' HB3' HD21 ' B' 1107 ' ' LEU . 46.5 t -61.46 137.42 58.24 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.032 0.444 . . . . 0.0 110.599 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 76.0 m -120.84 19.32 11.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.669 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 33.0 t0 -147.97 149.41 32.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.362 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . . . . . . . . . 43.6 pt -70.74 -28.1 32.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.73 -45.45 89.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.942 0.401 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.628 HD21 ' CG2' ' B' 1097 ' ' THR . 52.5 tp -67.48 -40.84 85.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.356 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' 1101 ' ' SER . 81.6 mt -60.59 -44.07 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.863 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.07 74.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.239 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.487 ' HB2' ' HD1' ' B' 1084 ' ' TYR . . . -62.12 -44.14 97.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.745 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.609 ' HB3' HD11 ' B' 1098 ' ' ILE . 87.0 m -68.59 -40.1 80.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . 0.576 ' NH1' ' HB3' ' B' 1071 ' ' ALA . 99.3 mtt180 -61.59 -42.66 99.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.274 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -65.05 -40.38 94.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.515 179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.44 -40.97 98.33 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.049 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -65.63 -40.74 92.87 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.796 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.4 -47.68 85.03 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.346 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -65.04 -42.35 94.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -63.79 -40.7 97.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.997 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.452 HD21 ' HA ' ' B' 1059 ' ' ALA . 74.0 mt -63.9 -40.83 97.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.668 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.91 -44.99 95.66 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.978 0.418 . . . . 0.0 110.866 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 73.7 t -63.44 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.009 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.686 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 87.5 t80 -59.68 -47.4 85.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.954 -179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 61.0 m170 -63.15 -42.49 99.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.365 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -62.09 -42.12 98.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.77 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.712 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 71.9 t90 -60.12 -45.57 92.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.777 0.323 . . . . 0.0 110.449 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . 0.447 ' HE3' ' HH ' ' B' 1121 ' ' TYR . 70.6 mmtt -58.46 -40.22 82.05 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.354 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 52.4 p -65.99 -31.72 72.78 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.147 -0.621 . . . . 0.0 110.26 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -62.82 -46.18 89.14 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.33 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' B' 1124 ' ' TRP . 2.9 p30 -84.76 -37.47 20.81 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.569 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -66.52 -40.83 89.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.338 0.59 . . . . 0.0 109.935 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 63.5 mtpt -126.06 137.82 53.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.88 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.613 179.748 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' ' 48' ' ' ASN . 97.7 mt . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.24 -42.44 99.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.395 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.563 ' H ' HG22 ' A' ' 46' ' ' ILE . 25.8 m120 -62.91 -39.5 94.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.066 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.41 -40.55 96.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -63.33 -42.74 98.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.36 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.712 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -63.31 -40.43 97.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.497 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -61.5 -44.26 97.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.795 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.79 90.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.046 0.45 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.439 HG21 ' HA ' ' B' 1121 ' ' TYR . 82.8 mt -59.47 -42.25 87.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD21 ' HB2' ' B' 1121 ' ' TYR . 85.5 mt -101.34 23.75 10.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.564 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -143.98 -61.42 0.39 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.147 0.499 . . . . 0.0 110.423 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -89.3 -3.41 75.53 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.394 -0.682 . . . . 0.0 111.394 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.45 21.16 77.45 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -72.94 159.06 86.2 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.675 0.274 . . . . 0.0 111.014 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 55.8 Cg_endo -70.89 -19.16 31.07 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.239 1.959 . . . . 0.0 112.256 179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.776 0 CA-C-O 117.951 -1.472 . . . . 0.0 110.834 -179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.22 153.67 61.97 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.037 2.492 . . . . 0.0 111.934 179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 63.0 mttp -85.79 -5.88 59.18 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.957 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 6.8 mtp -60.99 143.84 54.5 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.624 0.25 . . . . 0.0 110.851 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 37.9 p -68.25 161.14 71.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.446 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.97 -42.5 66.26 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.024 1.816 . . . . 0.0 111.693 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.48 -40.02 89.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -63.83 -42.38 97.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.576 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 76.5 mtm -64.35 -40.42 95.83 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.084 -0.646 . . . . 0.0 110.118 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.65 98.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 35.5 mtmm -62.13 -41.35 98.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.592 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.61 -40.46 96.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.731 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . 0.538 ' HB3' HD11 ' B' 1118 ' ' LEU . 34.3 mtt -62.11 -42.72 99.51 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.593 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 48.2 t -63.21 -42.71 99.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.23 -41.24 96.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.73 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -65.99 -39.68 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.085 0.469 . . . . 0.0 110.483 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.658 HD13 ' NE2' ' B' 1115 ' ' HIS . 74.8 mt -63.59 -41.39 98.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.774 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 93.3 p -66.1 -39.33 89.87 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.814 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -63.77 -40.21 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.745 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -71.01 153.44 51.22 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.121 -0.791 . . . . 0.0 111.121 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . 0.591 ' HD2' HD12 ' B' 1073 ' ' LEU . 58.6 Cg_endo -72.79 141.84 34.48 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.35 2.034 . . . . 0.0 112.333 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.569 ' O ' HG23 ' B' 1075 ' ' THR . . . -62.55 -20.71 64.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.457 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . . . . . . . . . 54.9 t -59.83 -42.04 87.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.334 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.591 HD12 ' HD2' ' B' 1070 ' ' PRO . 81.3 mt -64.19 -40.13 95.44 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.76 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.46 91.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.832 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.569 HG23 ' O ' ' B' 1071 ' ' ALA . 72.7 p -67.61 -41.38 84.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.025 0.44 . . . . 0.0 110.616 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.82 -40.13 96.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.665 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.431 ' HB2' ' HB1' ' B' 1108 ' ' ALA . . . -62.12 -44.06 97.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.13 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.15 74.87 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.29 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 114.03 37.52 1.24 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 74.3 p -95.21 21.98 7.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.85 0.357 . . . . 0.0 110.295 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -119.64 -75.0 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.717 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 2.6 mppt? 66.06 20.17 11.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -104.65 130.1 52.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.346 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 60.8 t0 -89.55 84.11 6.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.259 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.593 ' HB3' HD21 ' B' 1094 ' ' LEU . 65.4 mt -98.78 5.99 47.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.849 -179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 98.1 p -66.55 -14.66 62.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.324 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -93.12 -8.91 41.29 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.89 136.41 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.89 0.376 . . . . 0.0 110.988 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 58.4 mttp -62.58 160.67 13.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.934 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -57.72 -47.98 80.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.669 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.81 94.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.741 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.4 -43.15 98.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.732 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.593 HD21 ' HB3' ' B' 1086 ' ' LEU . 65.1 mt -65.13 -39.5 93.12 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.592 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.16 -48.01 83.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.787 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 62.8 t0 -64.94 -39.56 93.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.125 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.519 ' CG2' HD21 ' B' 1106 ' ' LEU . 91.9 m -60.23 -45.37 93.44 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . 0.602 HD11 ' HB3' ' B' 1110 ' ' CYS . 96.9 mt -61.97 -46.78 95.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 111.039 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -61.13 -38.8 87.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 6.0 t -91.25 -2.94 57.34 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.51 ' HB3' HD21 ' B' 1107 ' ' LEU . 40.8 t -65.82 136.04 55.65 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.072 0.463 . . . . 0.0 110.86 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 16.7 p -116.31 -8.15 11.69 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.268 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -109.39 139.54 44.22 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' B' 1107 ' ' LEU . 42.2 pt -69.64 -27.84 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.88 -45.4 89.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.213 0.53 . . . . 0.0 110.462 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.519 HD21 ' CG2' ' B' 1097 ' ' THR . 47.0 tp -66.53 -40.11 88.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.244 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.51 HD21 ' HB3' ' B' 1101 ' ' SER . 78.8 mt -60.47 -43.02 97.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.01 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . 0.431 ' HB1' ' HB2' ' B' 1077 ' ' ALA . . . -63.69 -37.47 87.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.184 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.709 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . 0.602 ' HB3' HD11 ' B' 1098 ' ' ILE . 89.6 m -65.28 -41.48 94.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 -179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -60.51 -45.51 93.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.359 179.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.13 -39.76 86.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.649 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -62.93 -39.96 96.17 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.182 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.426 ' HE1' HD13 ' B' 1094 ' ' LEU . 3.2 m-30 -63.71 -41.07 98.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.249 179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.658 ' NE2' HD13 ' B' 1066 ' ' LEU . 20.4 m170 -62.02 -42.62 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.373 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 41.5 mmt180 -63.45 -45.28 91.62 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.346 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -63.33 -42.48 98.97 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.178 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.538 HD11 ' HB3' ' B' 1062 ' ' MET . 80.9 mt -64.47 -39.98 94.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -60.96 -45.15 95.87 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.923 0.392 . . . . 0.0 110.652 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 76.6 t -63.28 -41.36 92.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.067 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.529 ' CD1' HD11 ' A' ' 55' ' ' LEU . 82.3 t80 -58.87 -48.58 80.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.31 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.65 -47.22 87.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.382 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.12 -40.05 88.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.666 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.828 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 63.5 t90 -60.83 -45.74 93.3 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.285 0.564 . . . . 0.0 110.562 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -59.97 -40.08 87.86 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 119.926 -0.709 . . . . 0.0 110.282 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 82.5 p -77.62 -17.08 58.12 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.118 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -76.58 -33.85 58.46 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 7.3 p30 -101.02 -19.7 15.71 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.387 -0.525 . . . . 0.0 111.502 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -100.28 -42.54 6.62 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.415 -0.514 . . . . 0.0 109.878 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -108.53 177.92 4.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.022 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 117.891 -1.052 . . . . 0.0 110.558 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.1 mt . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.09 -41.66 98.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -62.03 -39.54 92.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.38 -39.73 95.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.5 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.94 -43.07 99.61 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.54 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.828 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -64.12 -39.74 94.7 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.546 179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.02 -43.88 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.448 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.39 97.0 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.073 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.83 -42.54 89.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.713 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' B' 1121 ' ' TYR . 86.9 mt -100.48 27.22 5.94 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -155.69 -61.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -78.81 -8.7 87.63 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.59 17.51 78.01 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -74.33 158.42 85.36 Favored Pre-proline 0 C--O 1.225 -0.189 0 CA-C-O 120.908 0.385 . . . . 0.0 111.305 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 60.7 Cg_endo -72.77 -21.97 20.91 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.189 1.926 . . . . 0.0 112.297 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.687 0 CA-C-O 118.002 -1.444 . . . . 0.0 110.745 -179.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1050 ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1051 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 147.63 52.27 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.834 2.356 . . . . 0.0 111.972 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1052 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.81 -8.39 58.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.815 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1053 ' ' MET . . . . . . . . . . . . . 11.2 mtm -90.5 163.56 14.58 Favored 'General case' 0 CA--C 1.523 -0.082 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1054 ' ' THR . . . . . . . . . . . . . 40.3 p -70.52 161.01 79.45 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1055 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.19 -40.47 81.91 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.269 1.979 . . . . 0.0 111.895 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1056 ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -66.23 -42.35 88.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.461 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1057 ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -65.95 -39.72 90.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1058 ' ' MET . . . . . . . . . . . . . 7.3 mtp -61.6 -42.01 98.26 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.97 0.414 . . . . 0.0 110.028 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1059 ' ' ALA . . . . . 0.53 ' HA ' HD21 ' B' 1118 ' ' LEU . . . -64.7 -41.12 96.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.716 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1060 ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.11 -41.26 98.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.409 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1061 ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.73 -41.66 99.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.494 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1062 ' ' MET . . . . . . . . . . . . . 32.3 mtt -63.14 -40.79 98.59 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1063 ' ' SER . . . . . . . . . . . . . 70.9 m -63.29 -40.95 98.8 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.62 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1064 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -62.63 -41.52 99.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1065 ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.97 -39.4 93.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1066 ' ' LEU . . . . . 0.808 HD13 ' CE1' ' B' 1115 ' ' HIS . 82.4 mt -63.01 -41.88 99.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.658 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1067 ' ' SER . . . . . . . . . . . . . 74.0 m -64.81 -39.92 94.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.65 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1068 ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -61.72 -39.56 91.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.595 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1069 ' ' GLY . . . . . . . . . . . . . . . -59.36 147.46 42.33 Favored Glycine 0 CA--C 1.536 1.35 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1070 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.3 119.64 5.04 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.665 2.244 . . . . 0.0 112.253 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1071 ' ' ALA . . . . . 0.859 ' HB1' ' HB3' ' B' 1074 ' ' ALA . . . 43.42 52.13 5.95 Favored 'General case' 0 C--O 1.232 0.182 0 O-C-N 123.589 0.555 . . . . 0.0 110.792 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1072 ' ' VAL . . . . . 0.507 HG21 ' O ' ' B' 1066 ' ' LEU . 66.9 t -60.33 -45.37 96.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.352 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1073 ' ' LEU . . . . . 0.648 HD21 ' CE1' ' B' 1115 ' ' HIS . 87.9 mt -96.45 -26.07 15.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.711 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1074 ' ' ALA . . . . . 0.859 ' HB3' ' HB1' ' B' 1071 ' ' ALA . . . -60.8 -37.61 82.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.43 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1075 ' ' THR . . . . . 0.466 HG23 ' N ' ' B' 1077 ' ' ALA . 0.7 OUTLIER -66.88 -27.33 67.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.523 -179.627 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1076 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt 52.34 46.44 26.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.747 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1077 ' ' ALA . . . . . 0.466 ' N ' HG23 ' B' 1075 ' ' THR . . . -61.71 -41.68 97.95 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.571 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1078 ' ' ALA . . . . . . . . . . . . . . . 48.47 27.69 1.49 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.631 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1079 ' ' ALA . . . . . . . . . . . . . . . -155.42 153.17 29.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.593 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1080 ' ' GLY . . . . . . . . . . . . . . . 150.12 -39.32 0.88 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1081 ' ' THR . . . . . . . . . . . . . 81.2 p -78.02 -14.96 59.32 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.791 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1082 ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -69.94 -40.72 75.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.837 0.351 . . . . 0.0 110.718 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1083 ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -88.33 -29.33 20.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.683 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1084 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -114.4 131.23 56.65 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 120.781 0.324 . . . . 0.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1085 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -89.65 77.49 7.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.194 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1086 ' ' LEU . . . . . 0.676 ' HB3' HD21 ' B' 1094 ' ' LEU . 70.2 mt -98.32 -5.39 33.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1087 ' ' SER . . . . . . . . . . . . . 56.8 p -64.06 -20.24 65.79 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.922 0.391 . . . . 0.0 110.404 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1088 ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -103.88 -2.13 26.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1089 ' ' TRP . . . . . . . . . . . . . 11.0 m0 -81.06 131.51 35.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.865 0.364 . . . . 0.0 110.94 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1090 ' ' LYS . . . . . . . . . . . . . 68.2 mttm -64.88 163.13 14.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1091 ' ' TYR . . . . . . . . . . . . . 78.7 t80 -57.52 -46.3 83.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.856 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1092 ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.11 95.17 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1093 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.42 -42.87 98.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.536 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1094 ' ' LEU . . . . . 0.676 HD21 ' HB3' ' B' 1086 ' ' LEU . 68.0 mt -65.45 -37.97 88.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1095 ' ' ARG . . . . . . . . . . . . . 36.7 mmm-85 -59.24 -46.58 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.255 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1096 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.45 -38.33 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.954 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1097 ' ' THR . . . . . 0.678 ' CG2' HD21 ' B' 1106 ' ' LEU . 98.1 m -61.33 -43.75 98.34 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.601 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1098 ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.91 -47.31 94.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1099 ' ' ASN . . . . . . . . . . . . . 60.3 m-80 -62.76 -37.71 87.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1100 ' ' THR . . . . . . . . . . . . . 78.6 p -89.6 -1.28 57.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1101 ' ' SER . . . . . 0.668 ' OG ' HD21 ' B' 1107 ' ' LEU . 60.1 p -59.37 127.29 31.38 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.469 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1102 ' ' CYS . . . . . . . . . . . . . 15.6 p -121.95 -7.73 8.91 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.357 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1103 ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -122.93 150.78 42.5 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.703 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1104 ' ' ILE . . . . . 0.444 ' HA ' HD12 ' B' 1107 ' ' LEU . 41.7 pt -69.75 -28.66 38.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1105 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.07 -44.66 91.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.273 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1106 ' ' LEU . . . . . 0.678 HD21 ' CG2' ' B' 1097 ' ' THR . 59.2 tp -65.36 -41.01 94.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.45 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1107 ' ' LEU . . . . . 0.668 HD21 ' OG ' ' B' 1101 ' ' SER . 56.3 mt -60.68 -41.4 95.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.535 -179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1108 ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.67 77.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.229 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1109 ' ' ALA . . . . . 0.517 ' HB1' HD12 ' B' 1086 ' ' LEU . . . -63.91 -49.44 72.65 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.769 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1110 ' ' CYS . . . . . . . . . . . . . 23.3 p -69.84 -40.48 75.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.537 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1111 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.02 -42.12 99.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.418 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1112 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.88 -41.2 97.8 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.45 179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1113 ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.9 -40.51 93.38 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.129 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1114 ' ' PHE . . . . . 0.413 ' HE2' HD13 ' B' 1094 ' ' LEU . 10.4 m-30 -63.86 -42.5 97.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.403 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1115 ' ' HIS . . . . . 0.808 ' CE1' HD13 ' B' 1066 ' ' LEU . 75.3 m-70 -62.74 -44.62 95.75 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 119.976 -0.69 . . . . 0.0 110.923 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1116 ' ' ARG . . . . . . . . . . . . . 40.7 mmt180 -65.96 -43.28 88.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1117 ' ' ARG . . . . . 0.418 ' HB3' HD23 ' A' ' 55' ' ' LEU . 89.8 mtt180 -65.97 -41.05 91.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.128 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1118 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' B' 1059 ' ' ALA . 65.6 mt -64.08 -40.36 96.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.618 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1119 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.81 -45.01 95.68 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.799 0.333 . . . . 0.0 110.407 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1120 ' ' VAL . . . . . . . . . . . . . 67.1 t -62.62 -41.11 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1121 ' ' TYR . . . . . 0.502 ' HE1' ' HB1' ' A' ' 51' ' ' ALA . 93.0 t80 -58.45 -46.9 85.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.164 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1122 ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -60.13 -48.52 81.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.665 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1123 ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.98 93.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.716 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1124 ' ' TRP . . . . . 0.665 ' CZ3' ' HB2' ' A' ' 51' ' ' ALA . 80.9 t90 -61.04 -45.44 94.79 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.142 179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1125 ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -62.27 -38.73 90.44 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1126 ' ' SER . . . . . . . . . . . . . 75.6 m -62.08 -40.54 96.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.36 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1127 ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -65.76 -44.86 84.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.951 0.405 . . . . 0.0 110.937 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1128 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -70.77 -39.58 73.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.6 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1129 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -71.92 -40.78 68.53 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.447 0.642 . . . . 0.0 110.212 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1130 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -136.23 145.76 46.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.567 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1131 ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.978 -1.011 . . . . 0.0 111.164 179.707 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 N--CA 1.492 1.66 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -63.27 -42.03 99.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.122 0.486 . . . . 0.0 110.53 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -61.72 -38.78 89.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.248 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -62.26 -41.95 98.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.258 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -62.13 -42.38 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.51 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.665 ' HB2' ' CZ3' ' B' 1124 ' ' TRP . . . -62.24 -41.35 98.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.534 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -61.53 -43.98 97.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.16 -39.73 91.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.323 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 79.9 mt -59.47 -40.6 82.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.096 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD11 ' CG ' ' B' 1121 ' ' TYR . 86.0 mt -103.5 25.79 9.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.321 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -149.62 -61.68 0.22 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.076 0.465 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.93 -3.71 85.28 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.02 77.58 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.416 ' HB1' ' HD2' ' A' ' 60' ' ' PRO . . . -71.58 157.81 89.11 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.983 0.42 . . . . 0.0 111.167 -179.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 59' ' ' ALA . 58.7 Cg_endo -73.42 -20.79 20.48 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.41 2.074 . . . . 0.0 112.276 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.798 0 CA-C-O 118.054 -1.415 . . . . 0.0 110.772 -179.851 . . . . . . . . 0 0 . 1 stop_ save_