data_2d82_residue 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 2d82 _Structure_validation_residue.Date_analyzed 2016-10-07 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 full ' A' A 1077 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1078 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.33 92.79 3.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -1.125 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1079 ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -93.2 109.58 21.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1080 ' ' MET . . . . . . . . . . . . . 2.5 mtm -75.18 145.6 41.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.357 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1081 ' ' ARG . . . . . 0.412 ' HD3' ' N ' ' A' 1081 ' ' ARG . 0.4 OUTLIER -102.99 162.61 12.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 110.356 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1082 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.952 . . . . 0.0 110.222 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1083 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -63.62 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.909 . . . . 0.0 110.509 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1084 ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' 1085 ' ' PHE . 27.4 mm 54.14 169.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.612 -0.68 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1085 ' ' PHE . . . . . 0.498 ' CD1' ' N ' ' A' 1085 ' ' PHE . 32.8 m-85 -113.41 -75.14 0.6 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.93 -1.106 . . . . 0.0 110.502 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1086 ' ' LYS . . . . . 0.435 ' CB ' ' HD2' ' A' 1087 ' ' PRO . 2.1 mttp 170.67 175.69 0.11 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.246 -0.909 . . . . 0.0 108.944 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1087 ' ' PRO . . . . . 0.435 ' HD2' ' CB ' ' A' 1086 ' ' LYS . 18.4 Cg_endo -64.08 -32.99 63.42 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.379 1.2 . . . . 0.0 109.814 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1088 ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.31 -43.66 55.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.357 -0.839 . . . . 0.0 110.474 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1089 ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' 1085 ' ' PHE . 33.5 mm-40 -66.96 -48.68 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.125 -0.984 . . . . 0.0 109.504 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1090 ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' 1094 ' ' LEU . 85.9 mt -51.93 -38.04 54.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.416 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1091 ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' 1142 ' ' LEU . 2.9 mtt180 -67.59 -50.24 59.24 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1092 ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' 1096 ' ' PRO . 0.0 OUTLIER -45.32 -28.08 0.77 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.609 -0.682 . . . . 0.0 111.608 -178.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1093 ' ' ALA . . . . . . . . . . . . . . . -107.17 -42.3 4.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.045 -1.034 . . . . 0.0 110.943 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1094 ' ' LEU . . . . . 0.526 ' CD2' ' CD1' ' A' 1153 ' ' TYR . 73.8 mt -68.58 -43.89 75.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 111.467 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1095 ' ' MET . . . . . 0.435 ' N ' ' HD2' ' A' 1096 ' ' PRO . 0.5 OUTLIER -53.66 -55.01 39.77 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 120.754 -1.216 . . . . 0.0 109.871 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1096 ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' 1095 ' ' MET . 45.4 Cg_exo -46.91 -50.88 10.12 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.491 1.258 . . . . 0.0 110.414 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.436 HG22 ' CE1' ' A' 1185 ' ' PHE . 0.2 OUTLIER -57.66 -44.02 85.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.958 . . . . 0.0 109.153 178.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1098 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -44.42 74.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.17 -33.18 73.02 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.315 -0.865 . . . . 0.0 109.391 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1100 ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' 1188 ' ' GLU . . . -65.77 -24.87 67.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.44 -0.787 . . . . 0.0 109.582 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1101 ' ' LEU . . . . . 0.451 ' CD2' HD22 ' A' 1181 ' ' LEU . 84.4 mt -92.11 -29.78 16.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.342 -0.849 . . . . 0.0 109.889 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1102 ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.64 -25.04 35.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 110.838 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1103 ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -54.25 -25.1 21.37 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.986 -1.072 . . . . 0.0 109.776 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1104 ' ' GLN . . . . . 0.423 ' OE1' ' CE ' ' A' 1180 ' ' LYS . 0.7 OUTLIER -76.59 145.0 39.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.36 178.557 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1105 ' ' ASP . . . . . 0.51 ' CB ' ' CD ' ' A' 1106 ' ' PRO . 0.9 OUTLIER -93.83 -64.19 0.13 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 120.956 -1.09 . . . . 0.0 111.575 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1106 ' ' PRO . . . . . 0.51 ' CD ' ' CB ' ' A' 1105 ' ' ASP . 33.4 Cg_endo -70.81 -18.65 31.93 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.019 1.01 . . . . 0.0 111.191 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1107 ' ' GLU . . . . . 0.451 ' HA ' ' HB3' ' A' 1177 ' ' PHE . 45.9 mt-10 -93.67 -20.21 20.38 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.0 111.244 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.24 36.66 4.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.925 -1.109 . . . . 0.0 111.061 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1109 ' ' LEU . . . . . 0.519 ' CB ' ' CD ' ' A' 1110 ' ' PRO . 2.0 mt -95.62 -66.34 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 120.995 -1.066 . . . . 0.0 111.005 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1110 ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' 1109 ' ' LEU . 55.2 Cg_endo -71.19 -8.82 24.29 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 O-C-N 123.041 1.021 . . . . 0.0 109.908 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1111 ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -81.92 -15.49 53.7 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.249 -0.907 . . . . 0.0 110.842 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1112 ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -93.9 -8.74 39.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.037 -1.04 . . . . 0.0 111.242 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1113 ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -129.7 140.41 38.54 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.125 . . . . 0.0 110.417 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1114 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.1 178.34 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.583 1.307 . . . . 0.0 110.54 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1115 ' ' VAL . . . . . 0.422 ' O ' ' CD1' ' A' 1120 ' ' LEU . 72.8 t -108.59 -35.22 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.0 110.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1116 ' ' ASP . . . . . . . . . . . . . 48.8 m-20 52.24 76.76 0.5 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.226 -0.921 . . . . 0.0 110.345 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1117 ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' 1121 ' ' GLY . 50.3 Cg_exo -53.61 -19.51 14.22 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 O-C-N 123.657 1.346 . . . . 0.0 110.973 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1118 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -58.96 2.96 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 108.771 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1119 ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.88 -44.55 86.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1120 ' ' LEU . . . . . 0.509 ' CD2' ' CZ2' ' A' ' 201' ' ' TTR . 0.2 OUTLIER -63.97 -40.96 97.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.505 0.669 . . . . 0.0 109.267 176.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1121 ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' 1117 ' ' PRO . . . 81.65 35.97 20.95 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1122 ' ' ILE . . . . . 0.412 ' O ' ' CG2' ' A' 1122 ' ' ILE . 6.4 tp -140.01 80.56 20.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.212 -1.169 . . . . 0.0 110.399 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.4 97.71 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.595 1.313 . . . . 0.0 110.477 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1124 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.89 -42.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.266 -0.896 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1125 ' ' TYR . . . . . . . . . . . . . 5.1 t80 -65.84 -18.77 65.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.323 -0.861 . . . . 0.0 110.514 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1126 ' ' PHE . . . . . 0.454 ' CZ ' ' HG2' ' A' 1132 ' ' PRO . 5.2 m-85 -107.37 -9.6 15.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1127 ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -86.68 -30.39 21.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.98 -1.075 . . . . 0.0 110.439 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1128 ' ' ILE . . . . . 0.417 HD12 ' CD1' ' A' 1167 ' ' TYR . 62.7 mt -94.99 -23.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.914 . . . . 0.0 110.477 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1129 ' ' VAL . . . . . 0.42 ' CG2' ' OD1' ' A' 1163 ' ' ASN . 86.9 t -112.1 104.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.923 . . . . 0.0 110.24 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1130 ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -57.62 -30.55 65.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 110.607 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1131 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -131.5 94.79 25.33 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 110.392 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1132 ' ' PRO . . . . . 0.454 ' HG2' ' CZ ' ' A' 1126 ' ' PHE . 20.1 Cg_exo -59.36 -41.78 55.29 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.613 1.323 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1133 ' ' MET . . . . . 0.428 ' HG3' ' CD2' ' A' 1159 ' ' LEU . 86.8 mmm 55.59 167.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.533 -0.729 . . . . 0.0 110.955 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1134 ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' 1137 ' ' THR . 2.0 p30 -178.21 152.27 0.69 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.498 -0.751 . . . . 0.0 109.694 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1135 ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.05 -28.83 4.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1136 ' ' SER . . . . . . . . . . . . . 3.4 t -74.47 -18.92 60.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 110.495 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1137 ' ' THR . . . . . 0.42 ' N ' ' OD1' ' A' 1134 ' ' ASP . 54.0 m -76.6 -60.59 2.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.101 -0.999 . . . . 0.0 109.99 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1138 ' ' ILE . . . . . 0.503 ' CG2' ' CE2' ' A' 1153 ' ' TYR . 6.3 mt -57.9 -47.62 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.334 -0.853 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1139 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -58.11 -40.83 82.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 110.257 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1140 ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.76 -57.17 7.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.946 . . . . 0.0 110.051 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1141 ' ' LYS . . . . . 0.438 ' HA ' ' NE2' ' A' 1146 ' ' GLN . 8.1 mtpt -53.92 -23.2 12.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.754 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1142 ' ' LEU . . . . . 0.437 ' CD2' ' HG3' ' A' 1091 ' ' ARG . 0.6 OUTLIER -83.25 -46.57 12.51 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.374 -0.829 . . . . 0.0 110.04 178.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1143 ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.39 -31.69 55.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.168 -0.958 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1144 ' ' THR . . . . . . . . . . . . . 51.1 p -95.89 -44.38 7.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.869 . . . . 0.0 110.418 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1145 ' ' GLY . . . . . . . . . . . . . . . 106.28 68.61 0.7 Allowed Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1146 ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' 1141 ' ' LYS . 2.0 mt-30 -90.83 -26.6 19.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.286 -1.126 . . . . 0.0 110.711 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1147 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -119.45 153.69 34.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.117 -0.99 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1148 ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -107.49 -11.26 15.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.449 -0.782 . . . . 0.0 110.454 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1149 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.89 149.31 38.37 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1150 ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -71.72 -30.57 14.33 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.761 1.4 . . . . 0.0 110.433 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1151 ' ' TRP . . . . . . . . . . . . . 25.7 m95 -57.2 -30.87 64.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.36 -0.837 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1152 ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -61.73 -36.82 82.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.0 109.881 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1153 ' ' TYR . . . . . 0.526 ' CD1' ' CD2' ' A' 1094 ' ' LEU . 49.4 t80 -73.37 -59.34 2.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.854 . . . . 0.0 110.082 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1154 ' ' VAL . . . . . . . . . . . . . 88.8 t -54.51 -28.41 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.895 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1155 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.31 -39.69 46.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.833 . . . . 0.0 110.141 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1156 ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.78 -42.26 64.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.312 -0.867 . . . . 0.0 110.13 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1157 ' ' VAL . . . . . . . . . . . . . 61.3 t -59.55 -55.27 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.158 -0.964 . . . . 0.0 110.061 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1158 ' ' TRP . . . . . . . . . . . . . 26.4 m95 -60.51 -35.09 75.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.729 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' 1133 ' ' MET . 26.4 tp -57.95 -34.04 69.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.934 . . . . 0.0 109.033 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1160 ' ' MET . . . . . . . . . . . . . 6.9 ttp -65.98 -47.72 73.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1161 ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -64.49 -27.47 69.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.362 -0.836 . . . . 0.0 109.211 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1162 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -54.57 44.25 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.6 -0.687 . . . . 0.0 109.713 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1163 ' ' ASN . . . . . 0.42 ' OD1' ' CG2' ' A' 1129 ' ' VAL . 18.7 t-20 -54.46 -45.83 73.22 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 0.0 109.918 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1164 ' ' ALA . . . . . . . . . . . . . . . -53.49 -55.8 22.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.974 -1.079 . . . . 0.0 110.141 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1165 ' ' TRP . . . . . 0.414 ' CD1' ' CD2' ' A' 1175 ' ' TYR . 46.5 m0 -72.87 -6.18 43.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.0 110.895 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1166 ' ' LEU . . . . . 0.409 ' HB3' ' HA ' ' A' 1163 ' ' ASN . 3.3 tm? -97.0 -20.92 17.73 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.096 -1.003 . . . . 0.0 110.494 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1167 ' ' TYR . . . . . 0.417 ' CD1' HD12 ' A' 1128 ' ' ILE . 65.3 t80 -120.43 -28.53 4.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.183 -0.948 . . . . 0.0 110.659 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1168 ' ' ASN . . . . . 0.443 ' HB3' ' CG2' ' A' 1174 ' ' VAL . 75.5 m-20 -91.03 -24.5 20.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.19 -0.944 . . . . 0.0 110.98 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1169 ' ' ARG . . . . . 0.439 ' O ' ' CD2' ' A' 1175 ' ' TYR . 4.1 ttp180 53.83 -157.93 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.058 -1.026 . . . . 0.0 109.928 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 10.03 38.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.077 -1.014 . . . . 0.0 110.857 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1171 ' ' THR . . . . . . . . . . . . . 28.7 p -102.71 42.28 1.17 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.024 -1.048 . . . . 0.0 110.602 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1172 ' ' SER . . . . . . . . . . . . . 8.2 t -163.76 146.98 9.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.176 -0.953 . . . . 0.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1173 ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -69.36 -18.49 63.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 110.579 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1174 ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' 1168 ' ' ASN . 19.4 m -67.27 -41.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.702 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1175 ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' 1169 ' ' ARG . 16.0 t80 -59.01 -34.62 72.08 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.109 -0.994 . . . . 0.0 108.724 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1176 ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.07 -55.36 11.0 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1177 ' ' PHE . . . . . 0.451 ' HB3' ' HA ' ' A' 1107 ' ' GLU . 19.0 m-30 -51.59 -44.97 62.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.417 -0.802 . . . . 0.0 110.045 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1178 ' ' CYS . . . . . . . . . . . . . 1.1 t -67.76 -26.37 66.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.402 -0.811 . . . . 0.0 110.094 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1179 ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' 1180 ' ' LYS . 5.1 p -65.3 -55.52 17.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.307 -0.871 . . . . 0.0 110.088 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1180 ' ' LYS . . . . . 0.437 ' N ' ' OG ' ' A' 1179 ' ' SER . 0.0 OUTLIER -56.8 -42.54 79.68 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.133 -0.98 . . . . 0.0 110.119 179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1181 ' ' LEU . . . . . 0.451 HD22 ' CD2' ' A' 1101 ' ' LEU . 11.7 mt -56.34 -50.06 72.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.116 -0.99 . . . . 0.0 109.625 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1182 ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.6 40.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.879 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1183 ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' 1186 ' ' GLU . 17.7 tt0 -54.44 -42.67 70.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.289 -0.882 . . . . 0.0 109.799 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1184 ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' A' 1188 ' ' GLU . 61.7 t -69.83 -11.62 15.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.219 -0.926 . . . . 0.0 110.308 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1185 ' ' PHE . . . . . 0.436 ' CE1' HG22 ' A' 1097 ' ' THR . 31.2 t80 -89.76 -59.25 2.25 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.817 -1.177 . . . . 0.0 109.03 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1186 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 1183 ' ' GLU . 0.8 OUTLIER -54.69 -21.33 10.44 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.743 -0.598 . . . . 0.0 110.169 178.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.04 -37.13 14.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.163 -0.96 . . . . 0.0 109.822 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1188 ' ' GLU . . . . . 0.446 ' HG2' ' CB ' ' A' 1100 ' ' ALA . 0.3 OUTLIER -79.95 -36.72 35.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.432 -0.792 . . . . 0.0 110.838 -179.424 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1189 ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' 1185 ' ' PHE . 2.9 tp -86.13 -9.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.722 -0.612 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1190 ' ' ASP . . . . . 0.477 ' CB ' ' HD3' ' A' 1191 ' ' PRO . 1.1 t0 -52.92 -50.51 81.22 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 120.928 -1.108 . . . . 0.0 110.46 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1191 ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' 1190 ' ' ASP . 24.4 Cg_exo -63.13 -40.54 32.77 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.46 1.242 . . . . 0.0 110.14 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1192 ' ' VAL . . . . . . . . . . . . . 97.8 t -61.06 -61.5 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.799 . . . . 0.0 110.221 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1193 ' ' MET . . . . . . . . . . . . . 32.1 mmt -56.72 -30.14 63.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.136 -0.977 . . . . 0.0 110.414 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.32 -42.43 98.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.0 110.49 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1195 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -19.03 16.63 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.241 -0.912 . . . . 0.0 110.234 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1196 ' ' LEU . . . . . . . . . . . . . 12.8 tp -93.97 -54.02 3.76 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.48 -0.762 . . . . 0.0 110.662 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1197 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.583 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' TTR . . . . . 0.509 ' CZ2' ' CD2' ' A' 1120 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1077 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1078 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.33 92.79 3.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -1.125 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1079 ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -93.2 109.58 21.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1080 ' ' MET . . . . . . . . . . . . . 2.5 mtm -75.18 145.6 41.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.357 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1081 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.99 162.61 12.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1082 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.952 . . . . 0.0 110.222 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1083 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -63.62 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.909 . . . . 0.0 110.509 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1084 ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' 1085 ' ' PHE . 27.4 mm 54.14 169.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.612 -0.68 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1085 ' ' PHE . . . . . 0.601 ' CE1' HD12 ' A' 1196 ' ' LEU . 32.8 m-85 -113.41 -75.14 0.6 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.93 -1.106 . . . . 0.0 110.502 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1086 ' ' LYS . . . . . 0.441 ' CB ' ' HD2' ' A' 1087 ' ' PRO . 2.1 mttp 170.67 175.69 0.11 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.246 -0.909 . . . . 0.0 108.944 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1087 ' ' PRO . . . . . 0.459 ' HB2' ' NH2' ' A' 1091 ' ' ARG . 18.4 Cg_endo -64.08 -32.99 63.42 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.379 1.2 . . . . 0.0 109.814 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1088 ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.31 -43.66 55.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.357 -0.839 . . . . 0.0 110.474 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1089 ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' 1085 ' ' PHE . 33.5 mm-40 -66.96 -48.68 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.125 -0.984 . . . . 0.0 109.504 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1090 ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' 1148 ' ' GLN . 85.9 mt -51.93 -38.04 54.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.416 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1091 ' ' ARG . . . . . 0.609 ' HG3' HD23 ' A' 1142 ' ' LEU . 2.9 mtt180 -67.59 -50.24 59.24 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1092 ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' 1096 ' ' PRO . 0.7 OUTLIER -45.32 -28.08 0.77 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.609 -0.682 . . . . 0.0 111.608 -178.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1093 ' ' ALA . . . . . 0.907 ' HB1' HG13 ' A' 1192 ' ' VAL . . . -107.17 -42.3 4.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.045 -1.034 . . . . 0.0 110.943 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1094 ' ' LEU . . . . . 1.061 HD22 ' CD1' ' A' 1153 ' ' TYR . 73.8 mt -68.58 -43.89 75.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 111.467 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1095 ' ' MET . . . . . 0.447 ' CB ' ' HD3' ' A' 1096 ' ' PRO . 0.5 OUTLIER -53.66 -55.01 39.77 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 120.754 -1.216 . . . . 0.0 109.871 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1096 ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' 1095 ' ' MET . 45.4 Cg_exo -46.91 -50.88 10.12 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.491 1.258 . . . . 0.0 110.414 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.73 HG21 ' HB ' ' A' 1189 ' ' ILE . 0.2 OUTLIER -57.66 -44.02 85.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.958 . . . . 0.0 109.153 178.035 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1098 ' ' LEU . . . . . 0.421 HD12 ' OH ' ' A' 1153 ' ' TYR . 0.3 OUTLIER -54.9 -44.42 74.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.17 -33.18 73.02 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.315 -0.865 . . . . 0.0 109.391 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1100 ' ' ALA . . . . . 0.771 ' HB1' ' HG2' ' A' 1188 ' ' GLU . . . -65.77 -24.87 67.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.44 -0.787 . . . . 0.0 109.582 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1101 ' ' LEU . . . . . 0.549 HD11 ' CD1' ' A' 1185 ' ' PHE . 84.4 mt -92.11 -29.78 16.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.342 -0.849 . . . . 0.0 109.889 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1102 ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.64 -25.04 35.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 110.838 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1103 ' ' ARG . . . . . 0.423 ' HG3' ' HG2' ' A' 1104 ' ' GLN . 2.3 ptm180 -54.25 -25.1 21.37 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.986 -1.072 . . . . 0.0 109.776 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1104 ' ' GLN . . . . . 0.423 ' HG2' ' HG3' ' A' 1103 ' ' ARG . 0.7 OUTLIER -76.59 145.0 39.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.36 178.557 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1105 ' ' ASP . . . . . 0.557 ' O ' HD12 ' A' 1109 ' ' LEU . 0.9 OUTLIER -93.83 -64.19 0.13 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 120.956 -1.09 . . . . 0.0 111.575 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1106 ' ' PRO . . . . . 0.627 ' HA ' HD12 ' A' 1109 ' ' LEU . 33.4 Cg_endo -70.81 -18.65 31.93 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.019 1.01 . . . . 0.0 111.191 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1107 ' ' GLU . . . . . 0.684 ' O ' HD11 ' A' 1181 ' ' LEU . 45.9 mt-10 -93.67 -20.21 20.38 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.0 111.244 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.24 36.66 4.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.925 -1.109 . . . . 0.0 111.061 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1109 ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' 1106 ' ' PRO . 2.0 mt -95.62 -66.34 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 120.995 -1.066 . . . . 0.0 111.005 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1110 ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' 1109 ' ' LEU . 55.2 Cg_endo -71.19 -8.82 24.29 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 O-C-N 123.041 1.021 . . . . 0.0 109.908 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1111 ' ' PHE . . . . . 0.51 ' CE2' HD12 ' A' 1181 ' ' LEU . 8.2 m-30 -81.92 -15.49 53.7 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.249 -0.907 . . . . 0.0 110.842 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1112 ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' 1109 ' ' LEU . 7.8 ptt85 -93.9 -8.74 39.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.037 -1.04 . . . . 0.0 111.242 -178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1113 ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' 1114 ' ' PRO . 7.2 pt20 -129.7 140.41 38.54 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.125 . . . . 0.0 110.417 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1114 ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' 1113 ' ' GLN . 39.0 Cg_exo -57.1 178.34 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.583 1.307 . . . . 0.0 110.54 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1115 ' ' VAL . . . . . 0.859 ' O ' HD13 ' A' 1120 ' ' LEU . 72.8 t -108.59 -35.22 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.0 110.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1116 ' ' ASP . . . . . . . . . . . . . 48.8 m-20 52.24 76.76 0.5 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.226 -0.921 . . . . 0.0 110.345 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1117 ' ' PRO . . . . . 0.418 ' CG ' ' CD1' ' A' 1126 ' ' PHE . 50.3 Cg_exo -53.61 -19.51 14.22 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 O-C-N 123.657 1.346 . . . . 0.0 110.973 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1118 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -58.96 2.96 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 108.771 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1119 ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' 1119 ' ' LEU . 7.4 tt -57.88 -44.55 86.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1120 ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 201' ' ' TTR . 0.2 OUTLIER -63.97 -40.96 97.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.505 0.669 . . . . 0.0 109.267 176.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1121 ' ' GLY . . . . . . . . . . . . . . . 81.65 35.97 20.95 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1122 ' ' ILE . . . . . 0.708 HG22 ' HB3' ' A' 1120 ' ' LEU . 6.4 tp -140.01 80.56 20.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.212 -1.169 . . . . 0.0 110.399 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.4 97.71 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.595 1.313 . . . . 0.0 110.477 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1124 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.89 -42.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.266 -0.896 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1125 ' ' TYR . . . . . . . . . . . . . 5.1 t80 -65.84 -18.77 65.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.323 -0.861 . . . . 0.0 110.514 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1126 ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' 1132 ' ' PRO . 5.2 m-85 -107.37 -9.6 15.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1127 ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -86.68 -30.39 21.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.98 -1.075 . . . . 0.0 110.439 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1128 ' ' ILE . . . . . 0.764 HD12 ' CE1' ' A' 1167 ' ' TYR . 62.7 mt -94.99 -23.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.914 . . . . 0.0 110.477 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1129 ' ' VAL . . . . . 0.875 HG21 ' OD1' ' A' 1163 ' ' ASN . 86.9 t -112.1 104.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.923 . . . . 0.0 110.24 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1130 ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -57.62 -30.55 65.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 110.607 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1131 ' ' ASN . . . . . . . . . . . . . 23.1 m120 -131.5 94.79 25.33 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 110.392 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1132 ' ' PRO . . . . . 0.48 ' HG2' ' CZ ' ' A' 1126 ' ' PHE . 20.1 Cg_exo -59.36 -41.78 55.29 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.613 1.323 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1133 ' ' MET . . . . . 0.482 ' HG3' HD23 ' A' 1159 ' ' LEU . 86.8 mmm 55.59 167.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.533 -0.729 . . . . 0.0 110.955 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1134 ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' 1137 ' ' THR . 2.0 p30 -178.21 152.27 0.69 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.498 -0.751 . . . . 0.0 109.694 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1135 ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.05 -28.83 4.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1136 ' ' SER . . . . . . . . . . . . . 3.4 t -74.47 -18.92 60.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 110.495 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1137 ' ' THR . . . . . 0.42 ' N ' ' OD1' ' A' 1134 ' ' ASP . 54.0 m -76.6 -60.59 2.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.101 -0.999 . . . . 0.0 109.99 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1138 ' ' ILE . . . . . 0.503 ' CG2' ' CE2' ' A' 1153 ' ' TYR . 6.3 mt -57.9 -47.62 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.334 -0.853 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1139 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -58.11 -40.83 82.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 110.257 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1140 ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.76 -57.17 7.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.946 . . . . 0.0 110.051 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1141 ' ' LYS . . . . . 0.423 ' HA ' ' NE2' ' A' 1146 ' ' GLN . 8.1 mtpt -53.92 -23.2 12.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.754 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1142 ' ' LEU . . . . . 0.772 HD11 ' CD2' ' A' 1153 ' ' TYR . 0.6 OUTLIER -83.25 -46.57 12.51 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.374 -0.829 . . . . 0.0 110.04 178.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1143 ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.39 -31.69 55.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.168 -0.958 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1144 ' ' THR . . . . . . . . . . . . . 51.1 p -95.89 -44.38 7.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.869 . . . . 0.0 110.418 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1145 ' ' GLY . . . . . . . . . . . . . . . 106.28 68.61 0.7 Allowed Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1146 ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' 1141 ' ' LYS . 2.0 mt-30 -90.83 -26.6 19.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.286 -1.126 . . . . 0.0 110.711 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1147 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -119.45 153.69 34.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.117 -0.99 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1148 ' ' GLN . . . . . 0.62 ' O ' HD11 ' A' 1090 ' ' LEU . 36.9 mt-30 -107.49 -11.26 15.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.449 -0.782 . . . . 0.0 110.454 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1149 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.89 149.31 38.37 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1150 ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -71.72 -30.57 14.33 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.761 1.4 . . . . 0.0 110.433 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1151 ' ' TRP . . . . . . . . . . . . . 25.7 m95 -57.2 -30.87 64.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.36 -0.837 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1152 ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -61.73 -36.82 82.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.0 109.881 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1153 ' ' TYR . . . . . 1.061 ' CD1' HD22 ' A' 1094 ' ' LEU . 49.4 t80 -73.37 -59.34 2.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.854 . . . . 0.0 110.082 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1154 ' ' VAL . . . . . 0.624 HG21 ' SD ' ' A' 1193 ' ' MET . 88.8 t -54.51 -28.41 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.895 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1155 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.31 -39.69 46.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.833 . . . . 0.0 110.141 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1156 ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.78 -42.26 64.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.312 -0.867 . . . . 0.0 110.13 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1157 ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' 1153 ' ' TYR . 61.3 t -59.55 -55.27 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.158 -0.964 . . . . 0.0 110.061 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1158 ' ' TRP . . . . . . . . . . . . . 26.4 m95 -60.51 -35.09 75.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.729 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.482 HD23 ' HG3' ' A' 1133 ' ' MET . 26.4 tp -57.95 -34.04 69.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.934 . . . . 0.0 109.033 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1160 ' ' MET . . . . . . . . . . . . . 6.9 ttp -65.98 -47.72 73.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1161 ' ' PHE . . . . . 0.533 ' CE2' HG12 ' A' 1157 ' ' VAL . 15.1 m-85 -64.49 -27.47 69.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.362 -0.836 . . . . 0.0 109.211 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1162 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -54.57 44.25 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.6 -0.687 . . . . 0.0 109.713 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1163 ' ' ASN . . . . . 0.875 ' OD1' HG21 ' A' 1129 ' ' VAL . 18.7 t-20 -54.46 -45.83 73.22 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 0.0 109.918 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1164 ' ' ALA . . . . . . . . . . . . . . . -53.49 -55.8 22.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.974 -1.079 . . . . 0.0 110.141 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1165 ' ' TRP . . . . . 0.414 ' CD1' ' CD2' ' A' 1175 ' ' TYR . 46.5 m0 -72.87 -6.18 43.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.0 110.895 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1166 ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' 1166 ' ' LEU . 3.3 tm? -97.0 -20.92 17.73 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.096 -1.003 . . . . 0.0 110.494 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1167 ' ' TYR . . . . . 0.764 ' CE1' HD12 ' A' 1128 ' ' ILE . 65.3 t80 -120.43 -28.53 4.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.183 -0.948 . . . . 0.0 110.659 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1168 ' ' ASN . . . . . 0.447 ' HB3' ' CG2' ' A' 1174 ' ' VAL . 75.5 m-20 -91.03 -24.5 20.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.19 -0.944 . . . . 0.0 110.98 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1169 ' ' ARG . . . . . 0.439 ' O ' ' CD2' ' A' 1175 ' ' TYR . 4.1 ttp180 53.83 -157.93 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.058 -1.026 . . . . 0.0 109.928 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 10.03 38.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.077 -1.014 . . . . 0.0 110.857 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1171 ' ' THR . . . . . . . . . . . . . 28.7 p -102.71 42.28 1.17 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.024 -1.048 . . . . 0.0 110.602 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1172 ' ' SER . . . . . . . . . . . . . 8.2 t -163.76 146.98 9.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.176 -0.953 . . . . 0.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1173 ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -69.36 -18.49 63.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 110.579 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1174 ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' 1175 ' ' TYR . 19.4 m -67.27 -41.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.702 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1175 ' ' TYR . . . . . 0.531 ' N ' HG23 ' A' 1174 ' ' VAL . 16.0 t80 -59.01 -34.62 72.08 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.109 -0.994 . . . . 0.0 108.724 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1176 ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.07 -55.36 11.0 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1177 ' ' PHE . . . . . 0.461 ' HB3' ' HA ' ' A' 1107 ' ' GLU . 19.0 m-30 -51.59 -44.97 62.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.417 -0.802 . . . . 0.0 110.045 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1178 ' ' CYS . . . . . . . . . . . . . 1.1 t -67.76 -26.37 66.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.402 -0.811 . . . . 0.0 110.094 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1179 ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' 1180 ' ' LYS . 5.1 p -65.3 -55.52 17.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.307 -0.871 . . . . 0.0 110.088 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1180 ' ' LYS . . . . . 0.768 ' O ' HG23 ' A' 1184 ' ' VAL . 0.0 OUTLIER -56.8 -42.54 79.68 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.133 -0.98 . . . . 0.0 110.119 179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.684 HD11 ' O ' ' A' 1107 ' ' GLU . 11.7 mt -56.34 -50.06 72.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.116 -0.99 . . . . 0.0 109.625 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1182 ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.6 40.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.879 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1183 ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' 1186 ' ' GLU . 17.7 tt0 -54.44 -42.67 70.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.289 -0.882 . . . . 0.0 109.799 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1184 ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' 1180 ' ' LYS . 61.7 t -69.83 -11.62 15.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.219 -0.926 . . . . 0.0 110.308 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1185 ' ' PHE . . . . . 0.901 ' O ' HG22 ' A' 1189 ' ' ILE . 31.2 t80 -89.76 -59.25 2.25 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.817 -1.177 . . . . 0.0 109.03 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1186 ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' 1183 ' ' GLU . 0.8 OUTLIER -54.69 -21.33 10.44 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.743 -0.598 . . . . 0.0 110.169 178.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.04 -37.13 14.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.163 -0.96 . . . . 0.0 109.822 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1188 ' ' GLU . . . . . 0.771 ' HG2' ' HB1' ' A' 1100 ' ' ALA . 0.3 OUTLIER -79.95 -36.72 35.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.432 -0.792 . . . . 0.0 110.838 -179.424 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1189 ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' 1185 ' ' PHE . 2.9 tp -86.13 -9.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.722 -0.612 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1190 ' ' ASP . . . . . 0.495 ' CB ' ' HD3' ' A' 1191 ' ' PRO . 1.1 t0 -52.92 -50.51 81.22 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 120.928 -1.108 . . . . 0.0 110.46 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1191 ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' 1190 ' ' ASP . 24.4 Cg_exo -63.13 -40.54 32.77 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.46 1.242 . . . . 0.0 110.14 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1192 ' ' VAL . . . . . 0.907 HG13 ' HB1' ' A' 1093 ' ' ALA . 97.8 t -61.06 -61.5 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.799 . . . . 0.0 110.221 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1193 ' ' MET . . . . . 0.624 ' SD ' HG21 ' A' 1154 ' ' VAL . 32.1 mmt -56.72 -30.14 63.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.136 -0.977 . . . . 0.0 110.414 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.32 -42.43 98.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.0 110.49 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1195 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -19.03 16.63 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.241 -0.912 . . . . 0.0 110.234 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1196 ' ' LEU . . . . . 0.601 HD12 ' CE1' ' A' 1085 ' ' PHE . 12.8 tp -93.97 -54.02 3.76 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.48 -0.762 . . . . 0.0 110.662 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1197 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.583 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' TTR . . . . . 0.985 ' CE2' HD21 ' A' 1120 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1077 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1078 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.33 92.79 3.37 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.287 -1.125 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1079 ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -93.2 109.58 21.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.25 -0.906 . . . . 0.0 110.484 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1080 ' ' MET . . . . . . . . . . . . . 2.5 mtm -75.18 145.6 41.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.271 -0.893 . . . . 0.0 110.357 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1081 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.99 162.61 12.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1082 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 91.78 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.176 -0.952 . . . . 0.0 110.222 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1083 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.41 -63.62 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.245 -0.909 . . . . 0.0 110.509 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1084 ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' 1085 ' ' PHE . 27.4 mm 54.14 169.95 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.612 -0.68 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1085 ' ' PHE . . . . . 0.601 ' CE1' HD12 ' A' 1196 ' ' LEU . 32.8 m-85 -113.41 -75.14 0.6 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.93 -1.106 . . . . 0.0 110.502 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1086 ' ' LYS . . . . . 0.441 ' CB ' ' HD2' ' A' 1087 ' ' PRO . 2.1 mttp 170.67 175.69 0.11 Allowed Pre-proline 0 N--CA 1.495 1.804 0 O-C-N 121.246 -0.909 . . . . 0.0 108.944 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1087 ' ' PRO . . . . . 0.459 ' HB2' ' NH2' ' A' 1091 ' ' ARG . 18.4 Cg_endo -64.08 -32.99 63.42 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 O-C-N 123.379 1.2 . . . . 0.0 109.814 178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -74.31 -43.66 55.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.357 -0.839 . . . . 0.0 110.474 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1089 ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' 1085 ' ' PHE . 33.5 mm-40 -66.96 -48.68 67.81 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.125 -0.984 . . . . 0.0 109.504 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1090 ' ' LEU . . . . . 0.62 HD11 ' O ' ' A' 1148 ' ' GLN . 85.9 mt -51.93 -38.04 54.93 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.416 177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1091 ' ' ARG . . . . . 0.609 ' HG3' HD23 ' A' 1142 ' ' LEU . 2.9 mtt180 -67.59 -50.24 59.24 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.132 -0.98 . . . . 0.0 109.386 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1092 ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' 1096 ' ' PRO . 0.0 OUTLIER -45.32 -28.08 0.77 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.609 -0.682 . . . . 0.0 111.608 -178.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1093 ' ' ALA . . . . . 0.907 ' HB1' HG13 ' A' 1192 ' ' VAL . . . -107.17 -42.3 4.9 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.045 -1.034 . . . . 0.0 110.943 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1094 ' ' LEU . . . . . 1.061 HD22 ' CD1' ' A' 1153 ' ' TYR . 73.8 mt -68.58 -43.89 75.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.201 -0.937 . . . . 0.0 111.467 -178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1095 ' ' MET . . . . . 0.447 ' CB ' ' HD3' ' A' 1096 ' ' PRO . 0.5 OUTLIER -53.66 -55.01 39.77 Favored Pre-proline 0 N--CA 1.494 1.737 0 O-C-N 120.754 -1.216 . . . . 0.0 109.871 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1096 ' ' PRO . . . . . 0.447 ' HD3' ' CB ' ' A' 1095 ' ' MET . 45.4 Cg_exo -46.91 -50.88 10.12 Favored 'Trans proline' 0 C--N 1.316 -1.16 0 O-C-N 123.491 1.258 . . . . 0.0 110.414 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.73 HG21 ' HB ' ' A' 1189 ' ' ILE . 0.2 OUTLIER -57.66 -44.02 85.4 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.168 -0.958 . . . . 0.0 109.153 178.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1098 ' ' LEU . . . . . 0.421 HD12 ' OH ' ' A' 1153 ' ' TYR . 0.3 OUTLIER -54.9 -44.42 74.13 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.284 -0.885 . . . . 0.0 109.559 178.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.17 -33.18 73.02 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.315 -0.865 . . . . 0.0 109.391 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1100 ' ' ALA . . . . . 0.771 ' HB1' ' HG2' ' A' 1188 ' ' GLU . . . -65.77 -24.87 67.03 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.44 -0.787 . . . . 0.0 109.582 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' LEU . . . . . 0.549 HD11 ' CD1' ' A' 1185 ' ' PHE . 84.4 mt -92.11 -29.78 16.34 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.342 -0.849 . . . . 0.0 109.889 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' TYR . . . . . . . . . . . . . 3.0 t80 -81.64 -25.04 35.97 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 110.838 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' ARG . . . . . 0.423 ' HG3' ' HG2' ' A' 1104 ' ' GLN . 2.3 ptm180 -54.25 -25.1 21.37 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.986 -1.072 . . . . 0.0 109.776 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1104 ' ' GLN . . . . . 0.423 ' HG2' ' HG3' ' A' 1103 ' ' ARG . 0.7 OUTLIER -76.59 145.0 39.24 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.466 -0.771 . . . . 0.0 109.36 178.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1105 ' ' ASP . . . . . 0.557 ' O ' HD12 ' A' 1109 ' ' LEU . 0.9 OUTLIER -93.83 -64.19 0.13 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 120.956 -1.09 . . . . 0.0 111.575 -178.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1106 ' ' PRO . . . . . 0.627 ' HA ' HD12 ' A' 1109 ' ' LEU . 33.4 Cg_endo -70.81 -18.65 31.93 Favored 'Trans proline' 0 C--N 1.314 -1.251 0 O-C-N 123.019 1.01 . . . . 0.0 111.191 -177.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1107 ' ' GLU . . . . . 0.684 ' O ' HD11 ' A' 1181 ' ' LEU . 45.9 mt-10 -93.67 -20.21 20.38 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.126 -0.984 . . . . 0.0 111.244 -178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1108 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.24 36.66 4.57 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.925 -1.109 . . . . 0.0 111.061 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1109 ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' 1106 ' ' PRO . 2.0 mt -95.62 -66.34 0.09 OUTLIER Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 120.995 -1.066 . . . . 0.0 111.005 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1110 ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' 1109 ' ' LEU . 55.2 Cg_endo -71.19 -8.82 24.29 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 O-C-N 123.041 1.021 . . . . 0.0 109.908 178.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1111 ' ' PHE . . . . . 0.51 ' CE2' HD12 ' A' 1181 ' ' LEU . 8.2 m-30 -81.92 -15.49 53.7 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.249 -0.907 . . . . 0.0 110.842 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1112 ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' 1109 ' ' LEU . 7.8 ptt85 -93.9 -8.74 39.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.037 -1.04 . . . . 0.0 111.242 -178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1113 ' ' GLN . . . . . 0.445 ' HA ' ' HD3' ' A' 1114 ' ' PRO . 7.2 pt20 -129.7 140.41 38.54 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 120.901 -1.125 . . . . 0.0 110.417 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1114 ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' 1113 ' ' GLN . 39.0 Cg_exo -57.1 178.34 0.15 Allowed 'Trans proline' 0 C--N 1.313 -1.335 0 O-C-N 123.583 1.307 . . . . 0.0 110.54 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1115 ' ' VAL . . . . . 0.859 ' O ' HD13 ' A' 1120 ' ' LEU . 72.8 t -108.59 -35.22 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.275 -0.89 . . . . 0.0 110.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1116 ' ' ASP . . . . . . . . . . . . . 48.8 m-20 52.24 76.76 0.5 Allowed Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.226 -0.921 . . . . 0.0 110.345 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1117 ' ' PRO . . . . . 0.418 ' CG ' ' CD1' ' A' 1126 ' ' PHE . 50.3 Cg_exo -53.61 -19.51 14.22 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 O-C-N 123.657 1.346 . . . . 0.0 110.973 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1118 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -58.96 2.96 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.092 -1.005 . . . . 0.0 108.771 177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1119 ' ' LEU . . . . . 0.488 ' C ' HD23 ' A' 1119 ' ' LEU . 7.4 tt -57.88 -44.55 86.72 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . 0.985 HD21 ' CE2' ' A' ' 201' ' ' TTR . 0.2 OUTLIER -63.97 -40.96 97.58 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.505 0.669 . . . . 0.0 109.267 176.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1121 ' ' GLY . . . . . . . . . . . . . . . 81.65 35.97 20.95 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1122 ' ' ILE . . . . . 0.708 HG22 ' HB3' ' A' 1120 ' ' LEU . 6.4 tp -140.01 80.56 20.29 Favored Pre-proline 0 N--CA 1.491 1.576 0 O-C-N 121.212 -1.169 . . . . 0.0 110.399 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.4 97.71 0.14 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 O-C-N 123.595 1.313 . . . . 0.0 110.477 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1124 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.89 -42.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.266 -0.896 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1125 ' ' TYR . . . . . . . . . . . . . 5.1 t80 -65.84 -18.77 65.56 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.323 -0.861 . . . . 0.0 110.514 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' PHE . . . . . 0.48 ' CZ ' ' HG2' ' A' 1132 ' ' PRO . 5.2 m-85 -107.37 -9.6 15.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1127 ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -86.68 -30.39 21.73 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.98 -1.075 . . . . 0.0 110.439 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1128 ' ' ILE . . . . . 0.764 HD12 ' CE1' ' A' 1167 ' ' TYR . 62.7 mt -94.99 -23.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.914 . . . . 0.0 110.477 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1129 ' ' VAL . . . . . 0.875 HG21 ' OD1' ' A' 1163 ' ' ASN . 86.9 t -112.1 104.27 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.224 -0.923 . . . . 0.0 110.24 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1130 ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -57.62 -30.55 65.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.278 -0.889 . . . . 0.0 110.607 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1131 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -131.5 94.79 25.33 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.186 -0.946 . . . . 0.0 110.392 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1132 ' ' PRO . . . . . 0.48 ' HG2' ' CZ ' ' A' 1126 ' ' PHE . 20.1 Cg_exo -59.36 -41.78 55.29 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 O-C-N 123.613 1.323 . . . . 0.0 110.35 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1133 ' ' MET . . . . . 0.482 ' HG3' HD23 ' A' 1159 ' ' LEU . 86.8 mmm 55.59 167.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.533 -0.729 . . . . 0.0 110.955 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1134 ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' 1137 ' ' THR . 2.0 p30 -178.21 152.27 0.69 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.498 -0.751 . . . . 0.0 109.694 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1135 ' ' LEU . . . . . . . . . . . . . 4.0 mt -49.05 -28.83 4.36 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.222 -0.924 . . . . 0.0 110.665 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1136 ' ' SER . . . . . . . . . . . . . 3.4 t -74.47 -18.92 60.56 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 110.495 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1137 ' ' THR . . . . . 0.42 ' N ' ' OD1' ' A' 1134 ' ' ASP . 54.0 m -76.6 -60.59 2.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.101 -0.999 . . . . 0.0 109.99 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1138 ' ' ILE . . . . . 0.503 ' CG2' ' CE2' ' A' 1153 ' ' TYR . 6.3 mt -57.9 -47.62 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.334 -0.853 . . . . 0.0 110.132 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1139 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -58.11 -40.83 82.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.101 -0.999 . . . . 0.0 110.257 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1140 ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -66.76 -57.17 7.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.946 . . . . 0.0 110.051 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1141 ' ' LYS . . . . . 0.423 ' HA ' ' NE2' ' A' 1146 ' ' GLN . 8.1 mtpt -53.92 -23.2 12.06 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.754 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1142 ' ' LEU . . . . . 0.772 HD11 ' CD2' ' A' 1153 ' ' TYR . 0.6 OUTLIER -83.25 -46.57 12.51 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.374 -0.829 . . . . 0.0 110.04 178.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1143 ' ' ASP . . . . . . . . . . . . . 11.2 t0 -54.39 -31.69 55.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.168 -0.958 . . . . 0.0 110.231 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1144 ' ' THR . . . . . . . . . . . . . 51.1 p -95.89 -44.38 7.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.31 -0.869 . . . . 0.0 110.418 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1145 ' ' GLY . . . . . . . . . . . . . . . 106.28 68.61 0.7 Allowed Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1146 ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' 1141 ' ' LYS . 2.0 mt-30 -90.83 -26.6 19.33 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.286 -1.126 . . . . 0.0 110.711 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1147 ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -119.45 153.69 34.88 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.117 -0.99 . . . . 0.0 110.425 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1148 ' ' GLN . . . . . 0.62 ' O ' HD11 ' A' 1090 ' ' LEU . 36.9 mt-30 -107.49 -11.26 15.53 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.449 -0.782 . . . . 0.0 110.454 179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1149 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -106.89 149.31 38.37 Favored Pre-proline 0 N--CA 1.489 1.498 0 O-C-N 121.152 -0.967 . . . . 0.0 110.538 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1150 ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -71.72 -30.57 14.33 Favored 'Trans proline' 0 C--N 1.312 -1.349 0 O-C-N 123.761 1.4 . . . . 0.0 110.433 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1151 ' ' TRP . . . . . . . . . . . . . 25.7 m95 -57.2 -30.87 64.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.36 -0.837 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1152 ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -61.73 -36.82 82.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.92 . . . . 0.0 109.881 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1153 ' ' TYR . . . . . 1.061 ' CD1' HD22 ' A' 1094 ' ' LEU . 49.4 t80 -73.37 -59.34 2.76 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.334 -0.854 . . . . 0.0 110.082 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1154 ' ' VAL . . . . . 0.624 HG21 ' SD ' ' A' 1193 ' ' MET . 88.8 t -54.51 -28.41 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.312 -0.867 . . . . 0.0 109.895 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1155 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.31 -39.69 46.97 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.368 -0.833 . . . . 0.0 110.141 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1156 ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -72.78 -42.26 64.15 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.312 -0.867 . . . . 0.0 110.13 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1157 ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' 1153 ' ' TYR . 61.3 t -59.55 -55.27 24.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.158 -0.964 . . . . 0.0 110.061 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1158 ' ' TRP . . . . . . . . . . . . . 26.4 m95 -60.51 -35.09 75.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.193 -0.942 . . . . 0.0 109.729 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.482 HD23 ' HG3' ' A' 1133 ' ' MET . 26.4 tp -57.95 -34.04 69.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.205 -0.934 . . . . 0.0 109.033 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1160 ' ' MET . . . . . . . . . . . . . 6.9 ttp -65.98 -47.72 73.61 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.494 -0.754 . . . . 0.0 109.327 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1161 ' ' PHE . . . . . 0.533 ' CE2' HG12 ' A' 1157 ' ' VAL . 15.1 m-85 -64.49 -27.47 69.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.362 -0.836 . . . . 0.0 109.211 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1162 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -54.57 44.25 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.6 -0.687 . . . . 0.0 109.713 178.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1163 ' ' ASN . . . . . 0.875 ' OD1' HG21 ' A' 1129 ' ' VAL . 18.7 t-20 -54.46 -45.83 73.22 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.304 -0.872 . . . . 0.0 109.918 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1164 ' ' ALA . . . . . . . . . . . . . . . -53.49 -55.8 22.37 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.974 -1.079 . . . . 0.0 110.141 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1165 ' ' TRP . . . . . 0.414 ' CD1' ' CD2' ' A' 1175 ' ' TYR . 46.5 m0 -72.87 -6.18 43.28 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.183 -0.948 . . . . 0.0 110.895 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1166 ' ' LEU . . . . . 0.859 ' O ' HD13 ' A' 1166 ' ' LEU . 3.3 tm? -97.0 -20.92 17.73 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.096 -1.003 . . . . 0.0 110.494 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1167 ' ' TYR . . . . . 0.764 ' CE1' HD12 ' A' 1128 ' ' ILE . 65.3 t80 -120.43 -28.53 4.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.183 -0.948 . . . . 0.0 110.659 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1168 ' ' ASN . . . . . 0.447 ' HB3' ' CG2' ' A' 1174 ' ' VAL . 75.5 m-20 -91.03 -24.5 20.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.19 -0.944 . . . . 0.0 110.98 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1169 ' ' ARG . . . . . 0.439 ' O ' ' CD2' ' A' 1175 ' ' TYR . 4.1 ttp180 53.83 -157.93 0.18 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.058 -1.026 . . . . 0.0 109.928 -178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1170 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 10.03 38.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.077 -1.014 . . . . 0.0 110.857 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1171 ' ' THR . . . . . . . . . . . . . 28.7 p -102.71 42.28 1.17 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.024 -1.048 . . . . 0.0 110.602 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1172 ' ' SER . . . . . . . . . . . . . 8.2 t -163.76 146.98 9.93 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.176 -0.953 . . . . 0.0 110.479 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1173 ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -69.36 -18.49 63.79 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.209 -0.932 . . . . 0.0 110.579 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1174 ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' 1175 ' ' TYR . 19.4 m -67.27 -41.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.702 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1175 ' ' TYR . . . . . 0.531 ' N ' HG23 ' A' 1174 ' ' VAL . 16.0 t80 -59.01 -34.62 72.08 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.109 -0.994 . . . . 0.0 108.724 177.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1176 ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -69.07 -55.36 11.0 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1177 ' ' PHE . . . . . 0.461 ' HB3' ' HA ' ' A' 1107 ' ' GLU . 19.0 m-30 -51.59 -44.97 62.99 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.417 -0.802 . . . . 0.0 110.045 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1178 ' ' CYS . . . . . . . . . . . . . 1.1 t -67.76 -26.37 66.08 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.402 -0.811 . . . . 0.0 110.094 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1179 ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' 1180 ' ' LYS . 5.1 p -65.3 -55.52 17.83 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.307 -0.871 . . . . 0.0 110.088 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1180 ' ' LYS . . . . . 0.768 ' O ' HG23 ' A' 1184 ' ' VAL . 0.0 OUTLIER -56.8 -42.54 79.68 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.133 -0.98 . . . . 0.0 110.119 179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.684 HD11 ' O ' ' A' 1107 ' ' GLU . 11.7 mt -56.34 -50.06 72.57 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.116 -0.99 . . . . 0.0 109.625 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1182 ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.6 40.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.879 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1183 ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' 1186 ' ' GLU . 17.7 tt0 -54.44 -42.67 70.85 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.289 -0.882 . . . . 0.0 109.799 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1184 ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' 1180 ' ' LYS . 61.7 t -69.83 -11.62 15.11 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.219 -0.926 . . . . 0.0 110.308 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1185 ' ' PHE . . . . . 0.901 ' O ' HG22 ' A' 1189 ' ' ILE . 31.2 t80 -89.76 -59.25 2.25 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 120.817 -1.177 . . . . 0.0 109.03 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1186 ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' 1183 ' ' GLU . 0.8 OUTLIER -54.69 -21.33 10.44 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.743 -0.598 . . . . 0.0 110.169 178.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1187 ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.04 -37.13 14.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.163 -0.96 . . . . 0.0 109.822 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1188 ' ' GLU . . . . . 0.771 ' HG2' ' HB1' ' A' 1100 ' ' ALA . 0.3 OUTLIER -79.95 -36.72 35.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.432 -0.792 . . . . 0.0 110.838 -179.424 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1189 ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' 1185 ' ' PHE . 2.9 tp -86.13 -9.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 O-C-N 121.722 -0.612 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1190 ' ' ASP . . . . . 0.495 ' CB ' ' HD3' ' A' 1191 ' ' PRO . 1.1 t0 -52.92 -50.51 81.22 Favored Pre-proline 0 N--CA 1.492 1.66 0 O-C-N 120.928 -1.108 . . . . 0.0 110.46 -179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1191 ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' 1190 ' ' ASP . 24.4 Cg_exo -63.13 -40.54 32.77 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 O-C-N 123.46 1.242 . . . . 0.0 110.14 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1192 ' ' VAL . . . . . 0.907 HG13 ' HB1' ' A' 1093 ' ' ALA . 97.8 t -61.06 -61.5 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.421 -0.799 . . . . 0.0 110.221 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1193 ' ' MET . . . . . 0.624 ' SD ' HG21 ' A' 1154 ' ' VAL . 32.1 mmt -56.72 -30.14 63.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.136 -0.977 . . . . 0.0 110.414 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1194 ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -61.32 -42.43 98.65 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.222 -0.924 . . . . 0.0 110.49 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1195 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.17 -19.03 16.63 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.241 -0.912 . . . . 0.0 110.234 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1196 ' ' LEU . . . . . 0.601 HD12 ' CE1' ' A' 1085 ' ' PHE . 12.8 tp -93.97 -54.02 3.76 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.48 -0.762 . . . . 0.0 110.662 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1197 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 117.964 -1.464 . . . . 0.0 109.583 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' TTR . . . . . 0.985 ' CE2' HD21 ' A' 1120 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_