data_2rqt_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 2rqt _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' A' A 1070 ' ' ARG . . . . . 0.468 ' HD2' ' CZ3' ' A' 1105 ' ' TRP . 10.3 ptp85 . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.411 ' HG2' HG12 ' A' 1095 ' ' ILE . 50.2 mtt85 -119.02 146.72 44.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.582 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 31.5 m -129.93 148.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.138 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.438 ' HE2' HG22 ' A' 1093 ' ' VAL . 18.0 tptp -117.36 103.11 9.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.549 HG21 HG12 ' A' 1124 ' ' VAL . 80.6 p -53.78 122.41 9.9 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.207 0.527 . . . . 0.0 111.829 -174.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' 1125 ' ' HIS . 10.6 pt -106.61 -3.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -139.12 148.36 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.205 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.26 136.83 36.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 33.8 t -124.37 103.96 8.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -89.63 90.28 8.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.867 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -62.85 151.71 38.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.384 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.4 -33.29 4.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.087 0.47 . . . . 0.0 110.154 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.8 150.5 20.59 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.4 -12.62 60.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.41 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.33 -27.33 47.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.869 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 43.2 mt-10 -81.49 151.9 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.312 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' 1115 ' ' ARG . 61.4 tp -96.07 140.7 30.41 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.646 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.45 ' HG1' ' HB1' ' A' 1080 ' ' ALA . 2.3 m -106.24 122.33 46.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.644 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 21.9 p90 -152.19 165.22 35.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.221 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.547 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.86 171.66 12.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.587 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.28 116.39 3.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.31 -3.12 14.03 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.8 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.03 138.09 37.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.474 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 21.8 t -91.02 130.33 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.582 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 59.5 mt -123.44 130.49 74.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.481 HG13 ' HB2' ' A' 1110 ' ' GLU . 20.5 mt -94.61 116.61 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.4 HG22 ' HZ ' ' A' 1119 ' ' PHE . 91.8 t -69.17 117.69 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.936 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 70.4 p -112.09 -12.5 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.12 175.46 41.64 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -135.65 136.18 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.741 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -110.57 -50.45 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.66 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 38.2 t70 -143.5 -178.73 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.549 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.676 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 15.2 pt20 -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.097 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.683 ' O ' ' HA ' ' A' 1120 ' ' PRO . 29.5 mm-40 -107.97 4.21 24.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.381 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.473 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 92.7 m95 -138.81 103.85 4.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.297 0.57 . . . . 0.0 111.074 -172.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.468 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 46.1 m0 -111.36 167.36 10.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.825 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' 1117 ' ' GLY . 92.8 mt -113.44 133.77 58.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.484 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.52 -174.13 39.59 Favored Glycine 0 N--CA 1.434 -1.475 0 C-N-CA 120.149 -1.024 . . . . 0.0 111.903 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.506 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.2 p-80 -134.4 151.03 50.95 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 123.75 0.323 . . . . 0.0 110.26 -175.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.519 HD11 HG12 ' A' 1094 ' ' ILE . 27.2 mm -65.31 121.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 12.8 tt0 -68.05 128.26 35.88 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.51 -13.85 65.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.958 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -154.32 78.52 5.19 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -71.25 -2.74 11.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.287 2.658 . . . . 0.0 113.353 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -82.87 -13.32 56.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.035 0.445 . . . . 0.0 110.472 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.493 ' HB3' HD11 ' A' 1086 ' ' LEU . 80.0 mtt180 -91.47 93.52 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 170.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.506 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.1 pttm -148.75 161.34 41.97 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1117 ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 154.88 -144.15 10.76 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.414 -1.075 . . . . 0.0 110.414 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 28.8 m -94.94 141.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 117.168 0.484 . . . . 0.0 110.571 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.484 ' HE1' ' N ' ' A' 1107 ' ' GLY . 34.3 p90 -142.18 140.22 19.03 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.683 ' HA ' ' O ' ' A' 1103 ' ' GLU . 36.5 Cg_endo -68.95 126.62 14.08 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.733 2.289 . . . . 0.0 112.621 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 23.0 t -71.26 -28.18 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.224 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 4.15 7.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -112.86 -0.54 14.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.549 HG12 HG21 ' A' 1074 ' ' THR . 28.0 m -124.61 155.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.802 0.334 . . . . 0.0 111.478 -175.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.454 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.9 t60 -108.27 106.2 16.25 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.489 HG12 HG12 ' A' 1072 ' ' VAL . 38.2 mt -76.73 134.01 29.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.603 0.716 . . . . 0.0 112.223 -170.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.408 HD23 ' HB2' ' A' 1073 ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.767 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.636 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 121.168 0.509 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.47 152.74 31.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.585 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.5 m -128.94 154.58 40.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.588 ' HZ3' ' HA2' ' A' 1091 ' ' GLY . 7.3 tmtt? -128.19 113.99 16.41 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.492 HG22 HG11 ' A' 1124 ' ' VAL . 69.0 p -61.0 133.17 55.83 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.467 -170.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' 1125 ' ' HIS . 12.7 pt -112.14 -10.37 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.444 ' CD2' HG13 ' A' 1075 ' ' ILE . 68.2 m-85 -133.41 153.32 51.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 t70 -74.13 130.05 39.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 37.9 t -119.84 112.54 19.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -97.19 96.61 8.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.675 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -68.37 145.24 54.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.995 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.53 -34.11 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.274 0.559 . . . . 0.0 109.914 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.541 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 23.8 t30 -92.3 140.81 29.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.35 -11.37 60.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 111.137 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.407 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 1.7 m-20 -88.98 -4.13 58.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.691 174.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.541 ' HG3' ' HB3' ' A' 1082 ' ' ASN . 60.3 mt-10 -94.63 153.04 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.5 tp -96.77 137.43 35.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.473 0.654 . . . . 0.0 111.309 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.403 ' OG1' ' HB1' ' A' 1080 ' ' ALA . 2.0 m -105.54 123.65 48.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.814 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.447 ' CD1' HG21 ' A' 1074 ' ' THR . 22.9 p90 -151.82 159.69 43.8 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.432 -176.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 0.2 OUTLIER -120.46 168.78 12.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.518 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.66 116.61 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.496 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1091 ' ' GLY . . . . . 0.588 ' HA2' ' HZ3' ' A' 1073 ' ' LYS . . . 119.05 3.95 12.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.423 -0.894 . . . . 0.0 113.142 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.88 136.95 36.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.235 0.517 . . . . 0.0 110.57 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.8 t -89.75 136.44 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.868 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.554 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 55.2 mt -126.36 137.25 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.1 mt -100.73 120.55 50.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 98.1 t -69.77 113.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.427 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 66.8 p -109.0 -15.74 14.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.18 179.31 39.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.297 -0.477 . . . . 0.0 112.105 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -142.22 141.77 32.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.834 0.35 . . . . 0.0 110.764 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -110.16 -54.76 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.418 0.628 . . . . 0.0 110.087 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' 1102 ' ' GLN . 21.2 t70 -136.9 -173.13 3.36 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.355 -175.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.46 ' H ' ' CG ' ' A' 1101 ' ' ASP . 12.5 pt20 -75.4 -23.58 57.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.172 0.511 . . . . 0.0 110.176 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.42 13.48 11.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.791 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1104 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -141.8 106.48 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.604 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.451 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.1 m0 -111.78 167.43 10.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.6 mt -117.33 136.38 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.266 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.427 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.12 -162.33 23.28 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.146 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.475 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.3 p-80 -144.05 148.95 35.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.539 HD13 HG12 ' A' 1094 ' ' ILE . 24.4 mm -62.95 125.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.77 122.93 18.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.021 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.36 -31.64 7.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.019 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -118.07 81.57 16.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 110.139 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.92 1.09 8.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.617 2.211 . . . . 0.0 113.211 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -87.48 -13.15 43.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.253 0.549 . . . . 0.0 109.728 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.505 ' HD3' HG13 ' A' 1109 ' ' ILE . 38.8 mtt180 -98.76 90.65 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.113 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.665 ' HB2' ' HZ2' ' A' 1116 ' ' LYS . 5.3 mtmp? -131.33 166.61 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.56 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 146.31 -161.22 28.32 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.856 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.9 m -86.9 140.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 31.6 p90 -138.09 134.35 17.84 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.426 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.89 122.2 10.16 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.661 2.241 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -24.43 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.243 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.5 m -69.76 -9.35 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.78 0.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.764 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.585 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.4 m -125.29 147.02 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.132 0.491 . . . . 0.0 112.157 -173.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.2 t60 -107.48 113.84 27.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.325 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.514 HG12 HG12 ' A' 1072 ' ' VAL . 21.3 mt -81.24 138.01 20.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.271 0.558 . . . . 0.0 112.322 -168.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' 1073 ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.435 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 38.5 mtm180 -121.87 166.34 14.54 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.578 HG13 HD11 ' A' 1126 ' ' ILE . 35.9 m -138.95 160.96 29.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.52 ' HB2' HD23 ' A' 1127 ' ' LEU . 75.3 tttt -132.12 117.2 17.99 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.545 ' HA ' HG12 ' A' 1124 ' ' VAL . 50.3 p -63.44 132.31 50.99 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.531 -173.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 41.0 pt -115.48 -12.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -133.15 143.02 48.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.79 132.48 52.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.092 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.0 t -125.77 116.14 21.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -108.77 112.01 24.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.572 0.701 . . . . 0.0 110.127 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -61.46 124.25 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.756 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.65 -25.26 15.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.432 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 37.3 m-80 -106.55 179.7 4.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.78 -42.56 49.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -92.01 0.56 57.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.382 0.61 . . . . 0.0 111.522 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 56.6 mt-10 -79.8 139.42 37.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.8 tp -87.62 140.59 29.36 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.4 m -101.83 126.51 48.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.107 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.466 ' CD1' HG22 ' A' 1074 ' ' THR . 16.5 p90 -156.05 157.89 36.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.552 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -114.67 160.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.507 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.85 117.54 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.328 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.76 -2.52 15.19 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.987 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.08 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.999 0.428 . . . . 0.0 109.851 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 72.8 t -93.27 129.46 43.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.172 0.511 . . . . 0.0 109.809 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.523 HG12 HD13 ' A' 1109 ' ' ILE . 62.9 mt -115.05 137.84 47.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.617 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.52 HD13 ' OE2' ' A' 1110 ' ' GLU . 9.8 mt -98.08 118.13 44.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 52.8 t -69.98 111.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.386 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 60.7 p -113.85 -3.33 13.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.86 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.05 172.03 40.59 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.263 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -140.28 136.07 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.717 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.45 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.6 mm-40 -109.25 -48.87 3.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 110.757 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' 1102 ' ' GLN . 22.9 t70 -149.35 -163.94 1.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.038 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.532 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.9 tt0 -73.15 -34.13 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.407 0.622 . . . . 0.0 110.104 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' 1120 ' ' PRO . 4.7 pt-20 -122.99 14.84 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.988 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.461 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.3 m95 -136.61 110.72 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.231 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.0 m0 -114.92 171.06 7.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.871 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.45 HG13 ' HG2' ' A' 1100 ' ' GLU . 75.1 mt -119.13 136.36 56.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.557 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.14 -179.81 45.01 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 119.989 -1.101 . . . . 0.0 111.908 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.466 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.6 p-80 -127.46 153.51 46.2 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.814 0.361 . . . . 0.0 110.681 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.523 HD13 HG12 ' A' 1094 ' ' ILE . 33.5 mm -65.62 121.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.031 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.52 ' OE2' HD13 ' A' 1095 ' ' ILE . 5.4 tp10 -65.2 122.55 17.34 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.31 68.43 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.29 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -150.36 79.66 7.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -2.47 11.51 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.099 2.532 . . . . 0.0 114.931 -168.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -77.35 -34.27 55.18 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.504 ' HB3' HD11 ' A' 1086 ' ' LEU . 49.3 mtt180 -85.81 97.25 10.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.657 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 20.9 pttp -139.76 160.11 40.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.521 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.64 -157.53 29.25 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.6 m -86.78 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 0.0 110.86 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.557 ' HE1' ' N ' ' A' 1107 ' ' GLY . 33.3 p90 -139.9 137.36 18.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' A' 1103 ' ' GLU . 32.5 Cg_endo -67.49 122.91 10.18 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.833 2.355 . . . . 0.0 112.14 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 24.6 t -64.33 -28.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.29 -176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 6.3 m -70.75 -16.99 62.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -93.52 3.39 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.382 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' 1074 ' ' THR . 32.7 m -134.23 165.11 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.074 0.464 . . . . 0.0 110.971 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.4 OUTLIER -106.82 161.84 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 167.485 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.578 HD11 HG13 ' A' 1072 ' ' VAL . 30.8 mm -97.89 142.3 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.785 0.326 . . . . 0.0 110.404 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' 1073 ' ' LYS . 2.3 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.72 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.592 ' HG2' HG12 ' A' 1095 ' ' ILE . 73.7 mtm180 -126.34 168.17 14.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.538 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 29.3 m -137.99 161.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.615 ' HB2' HD22 ' A' 1127 ' ' LEU . 5.5 tmtt? -133.4 116.67 16.33 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.519 ' HA ' HG12 ' A' 1124 ' ' VAL . 80.4 p -64.58 129.79 41.18 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.908 -172.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.01 -3.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.043 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.424 ' HA ' ' HG2' ' A' 1090 ' ' GLU . 40.8 m-85 -138.98 156.92 46.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.422 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.17 130.47 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.252 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 12.4 t -139.99 94.83 2.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.345 0.593 . . . . 0.0 109.54 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.528 ' HA ' HG21 ' A' 1087 ' ' THR . 27.1 mt-30 -90.63 107.91 19.47 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.517 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -42.04 133.07 3.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.733 -177.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.15 -31.48 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.475 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -117.85 156.61 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.907 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.29 -20.26 66.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.354 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.427 ' O ' HG21 ' A' 1118 ' ' VAL . 7.1 m-20 -86.71 -12.64 47.72 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.997 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 70.8 mt-10 -87.81 153.72 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.538 HD21 HG12 ' A' 1109 ' ' ILE . 55.7 tp -97.72 143.03 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.288 0.566 . . . . 0.0 111.211 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' 1079 ' ' GLN . 7.4 m -101.44 121.17 41.45 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.722 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 15.4 p90 -154.47 166.27 33.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.317 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 171.91 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' 1076 ' ' TYR . 26.5 mt-10 -56.44 113.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.382 0.427 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.87 4.34 12.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.305 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.428 ' HG2' HD12 ' A' 1089 ' ' ILE . 55.3 mm-40 -90.3 139.93 30.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.08 0.467 . . . . 0.0 110.813 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.9 t -102.16 130.89 51.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.838 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.543 HG12 HD12 ' A' 1109 ' ' ILE . 57.2 mt -121.24 139.0 49.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.998 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.592 HG12 ' HG2' ' A' 1071 ' ' ARG . 9.8 mt -93.5 124.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 60.7 t -71.54 110.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.972 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.583 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 68.6 p -114.29 -1.27 13.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.397 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.59 171.76 43.84 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.629 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -143.48 135.16 26.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.114 0.457 . . . . 0.0 110.659 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -114.94 -48.0 2.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.526 0.679 . . . . 0.0 110.49 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 25.8 t70 -135.42 -172.83 3.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.898 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.443 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.5 tt0 -77.14 -34.22 56.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.538 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.5 pt-20 -113.38 16.47 18.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.6 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 88.3 m95 -141.55 104.29 4.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.501 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.503 ' O ' ' HA ' ' A' 1118 ' ' VAL . 54.5 m0 -112.56 171.3 7.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.82 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 89.0 mt -116.33 138.75 45.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.583 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -174.2 -166.06 31.71 Favored Glycine 0 N--CA 1.433 -1.532 0 C-N-CA 119.708 -1.235 . . . . 0.0 112.462 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.489 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.1 p-80 -140.41 150.46 43.91 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.854 0.385 . . . . 0.0 110.307 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.543 HD12 HG12 ' A' 1094 ' ' ILE . 21.2 mm -68.44 127.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.479 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.478 ' HG2' HG13 ' A' 1095 ' ' ILE . 3.4 mm-40 -60.03 118.55 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.283 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.88 -13.64 67.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.199 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -132.69 78.66 66.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.61 -9.24 25.53 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.948 2.432 . . . . 0.0 112.558 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -78.76 -21.28 48.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.407 0.623 . . . . 0.0 109.559 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.526 ' HB3' HD11 ' A' 1086 ' ' LEU . 10.2 mmt180 -93.67 92.19 7.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.21 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.489 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.7 mtmt -131.69 175.88 8.81 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.543 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 137.92 -163.77 25.56 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.834 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' 1105 ' ' TRP . 22.4 m -86.29 137.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.161 0.505 . . . . 0.0 110.256 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 28.1 p90 -133.13 136.92 28.29 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.21 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.515 ' HA ' ' O ' ' A' 1103 ' ' GLU . 39.7 Cg_endo -69.41 119.53 6.48 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 111.786 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.543 ' HA ' HG21 ' A' 1124 ' ' VAL . 16.1 t -68.99 -21.25 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.318 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.0 p -72.21 -8.75 56.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.808 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -107.95 6.7 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' 1121 ' ' VAL . 19.0 m -138.8 170.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.689 0.757 . . . . 0.0 112.094 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.47 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.2 OUTLIER -113.96 156.35 24.18 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.074 169.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.465 HG13 HG13 ' A' 1072 ' ' VAL . 2.9 mp -100.61 138.31 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' 1073 ' ' LYS . 7.2 mt . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.363 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.474 ' HD2' HG11 ' A' 1096 ' ' VAL . 40.0 ttm180 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 121.01 0.434 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.607 ' HG2' HG12 ' A' 1095 ' ' ILE . 88.2 mtm180 -126.29 147.56 49.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.378 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 25.5 m -129.35 153.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -124.27 113.31 18.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.077 0.465 . . . . 0.0 109.76 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.513 HG21 ' CD1' ' A' 1088 ' ' PHE . 76.4 p -56.07 128.9 37.68 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.058 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.57 HD12 ' HD1' ' A' 1125 ' ' HIS . 6.7 pt -112.65 -2.49 10.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.518 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.406 ' CD2' HG13 ' A' 1075 ' ' ILE . 84.6 m-85 -136.16 138.26 41.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.879 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.42 131.33 46.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.716 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.688 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.0 t -141.13 94.95 2.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.593 0.711 . . . . 0.0 109.858 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.534 ' HA ' HG22 ' A' 1087 ' ' THR . 36.7 mt-30 -93.64 101.49 13.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.861 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -46.59 126.58 8.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.163 -177.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.69 -37.72 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.41 173.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.448 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 31.9 m-80 -94.11 159.06 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.796 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.33 -20.99 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.441 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.56 -12.4 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.625 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 46.4 mt-10 -86.03 157.6 20.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.415 HD21 HG12 ' A' 1109 ' ' ILE . 62.0 tp -96.62 143.74 27.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.134 0.493 . . . . 0.0 111.137 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' 1079 ' ' GLN . 34.8 m -103.9 124.6 49.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.809 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.688 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 21.1 p90 -157.45 164.07 37.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.119 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.48 173.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.78 -5.01 12.85 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.613 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.41 127.24 31.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.979 0.418 . . . . 0.0 110.676 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 61.6 t -88.64 122.2 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.51 HG12 HD13 ' A' 1109 ' ' ILE . 57.9 mt -113.48 129.84 68.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.809 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.607 HG12 ' HG2' ' A' 1071 ' ' ARG . 27.4 mt -91.78 117.12 34.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.474 HG11 ' HD2' ' A' 1070 ' ' ARG . 58.7 t -68.99 116.31 9.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.26 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.9 p -110.08 -8.37 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.087 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -173.45 174.33 46.03 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.358 -0.449 . . . . 0.0 112.098 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.58 137.03 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 0.0 110.27 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.451 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.9 mm-40 -105.2 -43.59 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.097 0.475 . . . . 0.0 110.412 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.7 t70 -151.13 -164.5 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.854 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.511 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.7 pt20 -77.79 -29.42 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 110.555 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.695 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.6 pt-20 -117.3 9.39 13.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.695 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.5 m95 -138.77 108.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 -176.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.445 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 48.7 m0 -113.21 165.49 12.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.068 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.451 HG13 ' HG2' ' A' 1100 ' ' GLU . 85.4 mt -114.97 136.58 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.522 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -163.72 -169.74 27.65 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.765 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.421 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.0 p-80 -135.43 151.03 50.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.51 HD13 HG12 ' A' 1094 ' ' ILE . 24.8 mm -69.23 131.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 129.8 43.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.826 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.18 2.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.605 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -121.98 90.64 48.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 122.706 -0.291 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.87 -1.16 7.24 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.447 2.098 . . . . 0.0 111.788 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -75.35 -26.04 58.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.814 0.816 . . . . 0.0 108.906 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -95.7 88.55 5.02 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.607 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.3 mtmt -121.07 173.07 7.5 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.996 173.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.73 -169.6 30.56 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.342 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' 1105 ' ' TRP . 26.9 m -86.23 142.53 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.522 ' HE1' ' N ' ' A' 1107 ' ' GLY . 21.0 p90 -142.37 135.41 14.01 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.588 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' 1103 ' ' GLU . 25.2 Cg_endo -65.74 125.62 14.6 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.673 2.249 . . . . 0.0 111.905 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 9.7 t -64.04 -25.27 37.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.385 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 2.6 p -70.36 -16.41 62.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -95.99 -1.91 48.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.568 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.5 m -122.68 147.29 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.1 0.476 . . . . 0.0 111.784 -174.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.57 ' HD1' HD12 ' A' 1075 ' ' ILE . 2.1 t60 -104.3 105.1 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.497 HG12 HG12 ' A' 1072 ' ' VAL . 20.9 mt -72.81 132.31 33.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.186 0.517 . . . . 0.0 111.419 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.488 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.25 0.548 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.777 ' HG2' HG12 ' A' 1095 ' ' ILE . 82.0 mtm180 -127.66 170.48 12.64 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.58 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.9 m -138.8 142.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.887 0.375 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.439 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.2 tppp? -107.45 105.46 15.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.523 HG21 HG13 ' A' 1124 ' ' VAL . 72.6 p -55.76 121.01 8.23 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.408 HG23 ' HB2' ' A' 1125 ' ' HIS . 4.7 pt -103.56 -1.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -139.47 145.73 39.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.84 135.12 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.357 175.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 52.1 t -129.99 106.61 8.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.444 ' H ' ' HG3' ' A' 1079 ' ' GLN . 0.0 OUTLIER -88.11 97.52 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.837 0.827 . . . . 0.0 109.598 174.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.531 ' HB3' ' HG1' ' A' 1087 ' ' THR . . . -63.54 137.39 58.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.672 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -101.08 -44.13 5.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.215 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' 1084 ' ' ASP . 58.3 t30 -85.1 145.8 27.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.12 0.65 11.0 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.055 0.455 . . . . 0.0 111.104 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.441 ' HB3' ' ND2' ' A' 1082 ' ' ASN . 25.2 t70 -98.75 -18.87 17.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.133 175.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.512 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 49.0 mt-10 -84.17 152.17 24.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.595 HD21 HG12 ' A' 1109 ' ' ILE . 58.4 tp -96.07 142.33 28.4 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.803 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.531 ' HG1' ' HB3' ' A' 1080 ' ' ALA . 1.6 m -101.73 122.98 44.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.948 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 23.3 p90 -149.29 156.3 41.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.779 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -114.65 172.88 3.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.36 118.53 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.873 0.368 . . . . 0.0 110.582 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1091 ' ' GLY . . . . . 0.439 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.18 -1.1 16.83 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.67 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' 1089 ' ' ILE . 33.5 mm-40 -83.55 140.35 32.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.118 0.485 . . . . 0.0 110.451 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 17.5 t -100.7 123.13 53.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.517 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 53.3 mt -116.88 131.9 68.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.777 HG12 ' HG2' ' A' 1071 ' ' ARG . 16.7 mt -88.97 127.06 41.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 84.8 t -74.16 108.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 123.603 0.564 . . . . 0.0 110.394 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.1 p -108.39 -8.1 15.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.372 -174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.21 177.11 47.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.019 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -128.59 148.92 50.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.697 0.284 . . . . 0.0 110.576 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -121.15 -46.19 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.73 0.776 . . . . 0.0 109.772 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 24.5 t70 -143.04 -179.12 6.18 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.523 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -80.3 -15.72 56.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.151 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.709 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.5 pt-20 -118.18 10.48 12.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.634 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.709 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.9 m95 -141.3 107.56 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.904 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.458 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.9 m0 -110.41 165.88 11.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.1 mt -112.98 131.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -159.18 -168.84 21.77 Favored Glycine 0 N--CA 1.437 -1.262 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.333 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.451 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.9 OUTLIER -139.5 152.46 46.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.595 HG12 HD21 ' A' 1086 ' ' LEU . 24.1 mm -70.83 128.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.705 0.288 . . . . 0.0 110.507 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.438 ' HG2' HG13 ' A' 1095 ' ' ILE . 2.5 mm-40 -61.01 121.39 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.937 174.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.11 -15.59 62.83 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.821 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -135.52 71.11 66.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.7 -9.43 22.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.403 . . . . 0.0 111.843 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.86 -30.05 58.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.258 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -102.63 99.81 9.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.43 0.633 . . . . 0.0 110.064 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.451 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 28.1 mtmt -120.15 177.95 4.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.534 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 151.22 -168.56 30.82 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.219 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' 1105 ' ' TRP . 30.0 m -86.37 141.86 13.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 0.0 110.633 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 22.2 p90 -138.51 136.73 19.25 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.471 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' 1123 ' ' PHE . 29.7 Cg_endo -66.53 123.97 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.747 2.298 . . . . 0.0 111.737 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.409 ' HA ' HG22 ' A' 1124 ' ' VAL . 10.2 t -68.17 -27.47 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.321 -175.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 13.1 t -76.83 -7.51 55.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.759 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.405 ' HB2' ' HG2' ' A' 1120 ' ' PRO . 11.8 m-85 -100.73 -2.05 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.58 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 23.0 m -124.25 152.42 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 111.558 -174.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.408 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -109.7 101.75 10.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.238 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.513 HG12 HG12 ' A' 1072 ' ' VAL . 50.1 mt -63.53 142.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -170.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.452 -0.372 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.138 176.453 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.532 ' HD2' HG12 ' A' 1095 ' ' ILE . 0.1 OUTLIER -121.66 163.77 18.45 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 174.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.605 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.3 m -137.71 141.95 37.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.569 ' HB2' HD22 ' A' 1127 ' ' LEU . 7.8 tmtt? -115.7 107.69 15.4 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.438 HG21 HG11 ' A' 1124 ' ' VAL . 61.9 p -56.19 130.55 44.76 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.203 -171.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' 1076 ' ' TYR . 3.5 pt -115.22 -0.07 8.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' 1075 ' ' ILE . 97.7 m-85 -139.03 157.5 45.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.864 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.77 133.51 38.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.715 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.2 t -122.22 100.49 6.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -80.72 90.94 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.87 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.703 ' HB1' HG22 ' A' 1087 ' ' THR . . . -71.02 106.55 3.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.394 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -82.07 -27.12 33.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.573 0.701 . . . . 0.0 109.355 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 28.0 t30 -96.52 137.35 35.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.958 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.73 -12.58 61.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.506 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -83.0 -16.67 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 109.741 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 88.0 mt-10 -88.36 151.97 22.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.473 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.9 tp -93.16 140.51 29.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 0.0 111.652 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.703 HG22 ' HB1' ' A' 1080 ' ' ALA . 0.0 OUTLIER -103.54 117.83 35.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.006 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.42 ' CD1' HG23 ' A' 1074 ' ' THR . 18.9 p90 -145.69 166.38 25.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.502 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.404 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.56 165.35 21.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.19 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -50.81 116.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.711 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1091 ' ' GLY . . . . . 0.532 ' HA2' ' HZ1' ' A' 1073 ' ' LYS . . . 119.17 1.99 13.9 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.636 173.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -96.51 142.34 28.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.542 0.671 . . . . 0.0 110.606 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -100.18 129.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.071 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.536 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 63.8 mt -117.86 136.96 53.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.532 HG12 ' HD2' ' A' 1071 ' ' ARG . 14.9 mt -91.97 121.53 42.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 93.9 t -69.59 109.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 123.534 0.521 . . . . 0.0 109.788 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 37.6 p -100.13 -23.58 14.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.487 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.83 174.23 32.39 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.995 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -141.69 119.1 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.15 -46.79 6.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' 1102 ' ' GLN . 17.1 t70 -145.26 -158.39 0.89 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.924 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.577 ' H ' ' CG ' ' A' 1101 ' ' ASP . 16.9 mt-30 -76.61 -45.52 29.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.381 0.61 . . . . 0.0 109.863 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -114.01 16.45 18.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.015 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.552 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 91.4 m95 -136.74 104.02 5.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.367 0.603 . . . . 0.0 110.433 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.7 m0 -116.13 169.3 9.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.175 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 97.3 mt -113.87 136.75 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.51 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -173.61 178.6 45.45 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.503 -178.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.516 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 1.4 p-80 -130.77 151.79 50.82 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.739 0.317 . . . . 0.0 111.12 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.521 HD12 HG12 ' A' 1094 ' ' ILE . 26.5 mm -68.69 130.03 33.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.97 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' 1110 ' ' GLU . 1.7 mm-40 -61.6 118.36 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.038 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.22 -18.14 57.46 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.765 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.424 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 5.8 tp60 -126.4 72.43 72.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.49 -25.62 48.01 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.191 2.594 . . . . 0.0 113.991 -167.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -72.75 -27.33 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -79.17 86.28 4.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.274 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.516 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.7 pttp -144.91 172.78 12.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 147.54 -156.07 26.79 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.0 m -87.31 139.7 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 117.237 0.519 . . . . 0.0 110.851 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.543 ' CE2' HG23 ' A' 1072 ' ' VAL . 36.7 p90 -139.38 139.82 23.87 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.36 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.8 Cg_endo -68.93 121.76 8.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.769 2.313 . . . . 0.0 112.133 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.503 ' HA ' HG21 ' A' 1124 ' ' VAL . 21.2 t -68.75 -21.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.074 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.2 p -72.61 -11.6 60.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.476 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 8.8 m-85 -103.06 -0.42 30.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.661 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.605 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 32.7 m -124.19 151.93 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.406 0.622 . . . . 0.0 112.195 -173.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HG22 ' A' 1075 ' ' ILE . 4.2 t60 -106.23 102.53 11.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.512 HG12 HG12 ' A' 1072 ' ' VAL . 58.1 mt -68.06 141.34 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' 1073 ' ' LYS . 10.7 mt . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.111 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.637 ' HG2' HG12 ' A' 1095 ' ' ILE . 60.0 mtm180 -124.23 168.92 12.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.2 m -141.07 145.34 25.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' 1127 ' ' LEU . 9.2 tmtt? -116.08 108.46 16.22 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.506 HG22 HG12 ' A' 1124 ' ' VAL . 65.3 p -57.39 132.2 52.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.136 -172.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 5.9 pt -115.11 -1.54 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -140.82 145.87 36.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.27 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.25 133.84 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.352 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.9 t -128.83 94.18 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.027 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.93 88.64 7.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.598 0.713 . . . . 0.0 109.682 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -63.46 129.05 38.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.715 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -90.63 -46.21 8.42 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.469 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -82.81 135.17 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.02 -22.0 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.816 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.44 -12.59 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.342 0.591 . . . . 0.0 110.334 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 50.7 mt-10 -88.23 147.17 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.64 HD21 HG12 ' A' 1109 ' ' ILE . 58.6 tp -89.54 138.58 31.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.37 0.605 . . . . 0.0 110.944 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.4 ' HG1' ' HB1' ' A' 1080 ' ' ALA . 0.2 OUTLIER -97.78 124.17 42.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.484 177.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.442 ' CD1' HG21 ' A' 1074 ' ' THR . 24.7 p90 -156.01 166.09 34.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.57 169.98 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -56.4 116.14 2.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.385 0.428 . . . . 0.0 111.011 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1091 ' ' GLY . . . . . 0.41 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 118.75 -0.79 15.47 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.072 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' 1089 ' ' ILE . 59.6 mm-40 -89.88 143.08 27.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.003 0.43 . . . . 0.0 110.255 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.496 HG21 ' HG2' ' A' 1073 ' ' LYS . 74.3 t -105.59 128.22 59.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.544 0.688 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.522 HG12 HD13 ' A' 1109 ' ' ILE . 58.9 mt -116.67 137.4 50.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 114.887 -1.052 . . . . 0.0 109.799 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.637 HG12 ' HG2' ' A' 1071 ' ' ARG . 25.3 mt -93.92 118.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 61.8 t -69.62 110.22 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.936 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.424 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 43.8 p -104.09 -15.96 15.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.535 -176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.79 175.81 39.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.898 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -134.75 146.22 49.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -114.4 -41.11 3.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.516 0.674 . . . . 0.0 109.691 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -148.99 -163.84 1.88 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.312 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -81.65 -30.15 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -113.68 12.84 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.654 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.6 m95 -140.04 106.5 5.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' 1118 ' ' VAL . 53.7 m0 -112.64 166.63 11.16 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 88.8 mt -116.97 135.84 56.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.48 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -167.74 -169.93 31.88 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 119.868 -1.158 . . . . 0.0 112.338 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.554 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.9 p-80 -134.5 149.2 50.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.282 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.64 HG12 HD21 ' A' 1086 ' ' LEU . 20.9 mm -70.73 128.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.416 ' CG ' HG13 ' A' 1095 ' ' ILE . 16.4 mt-10 -65.15 134.27 53.36 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.42 -20.71 48.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.416 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -145.32 86.98 7.25 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 121.064 0.459 . . . . 0.0 109.837 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 -9.3 25.0 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 123.03 2.487 . . . . 0.0 113.508 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.65 -23.69 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.387 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.48 ' HB3' HD13 ' A' 1086 ' ' LEU . 37.5 mtt180 -85.07 91.38 8.09 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.901 0.381 . . . . 0.0 110.214 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.554 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.9 mtmm -128.98 170.13 13.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.169 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.57 29.65 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.967 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' 1105 ' ' TRP . 20.2 m -84.36 142.89 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.932 0.396 . . . . 0.0 110.636 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.48 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.1 p90 -141.06 133.12 13.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.771 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.74 124.0 12.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.875 2.383 . . . . 0.0 111.973 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' 1124 ' ' VAL . 24.4 t -65.59 -25.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.116 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 40.4 t -72.28 -9.31 58.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.783 0.325 . . . . 0.0 110.753 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.67 -3.35 28.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.189 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.8 m -124.63 162.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 111.303 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.68 107.56 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.524 HG13 HG13 ' A' 1072 ' ' VAL . 3.7 mp -65.45 139.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' 1073 ' ' LYS . 12.4 mt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.862 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.577 HH11 HG11 ' A' 1096 ' ' VAL . 33.4 ttm180 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.204 0.526 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.418 ' CB ' HD11 ' A' 1127 ' ' LEU . 0.0 OUTLIER -113.72 155.87 24.81 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.108 173.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.8 m -132.04 137.92 53.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.355 173.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.535 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.3 tppp? -103.61 105.98 16.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.505 HG22 HG13 ' A' 1124 ' ' VAL . 71.4 p -55.1 128.9 35.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.537 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.524 HG13 ' CD2' ' A' 1076 ' ' TYR . 12.8 pt -112.68 0.99 8.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.524 ' CD2' HG13 ' A' 1075 ' ' ILE . 87.9 m-85 -137.01 146.84 45.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.096 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.482 ' HB2' ' OE1' ' A' 1090 ' ' GLU . 16.4 t70 -76.85 129.63 36.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.719 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 29.2 t -126.09 105.81 9.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.8 0.333 . . . . 0.0 110.423 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -89.41 88.59 7.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.888 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -60.72 146.59 45.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.639 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.51 -35.27 4.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.406 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 43.6 t30 -92.11 141.77 28.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.59 -21.58 64.46 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.595 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -75.23 -26.7 59.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.667 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 51.3 mt-10 -79.34 143.91 34.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.936 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' 1115 ' ' ARG . 57.4 tp -91.71 141.47 28.65 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' 1080 ' ' ALA . 39.1 m -104.4 128.28 52.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 19.8 p90 -150.85 163.26 39.08 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.402 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.765 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.38 163.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.301 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' 1077 ' ' ASP . 1.0 OUTLIER -63.79 108.68 1.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 -177.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1091 ' ' GLY . . . . . 0.535 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.54 8.86 9.72 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.743 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.452 ' CG ' HD11 ' A' 1109 ' ' ILE . 4.5 tp10 -98.39 134.63 41.11 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 34.2 t -89.39 128.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.97 0.415 . . . . 0.0 110.553 -176.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.547 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 60.4 mt -110.75 130.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.42 HD13 ' OE2' ' A' 1110 ' ' GLU . 12.6 mt -94.79 116.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.577 HG11 HH11 ' A' 1070 ' ' ARG . 47.2 t -73.62 116.59 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.453 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.4 p -110.98 -6.09 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.407 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -177.92 178.17 48.44 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.45 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.95 157.89 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.267 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.565 ' HG2' HG13 ' A' 1106 ' ' ILE . 5.9 mm-40 -121.86 -55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.582 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -142.45 -161.34 1.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.369 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -77.7 -27.96 50.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.049 0.452 . . . . 0.0 110.35 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.675 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.3 pt-20 -121.52 10.61 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.047 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.675 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.3 m95 -137.09 115.26 11.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.48 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.511 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 47.3 m0 -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.565 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.5 mt -114.57 140.39 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.453 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -173.82 -154.62 10.88 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.896 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.418 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.5 p-80 -148.7 154.31 39.45 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.513 HD12 HG12 ' A' 1094 ' ' ILE . 21.5 mm -72.91 129.73 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 174.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.42 ' OE2' HD13 ' A' 1095 ' ' ILE . 7.3 tp10 -75.28 140.42 43.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.85 -38.93 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.475 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -138.73 79.09 29.39 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.67 14.04 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.235 2.623 . . . . 0.0 113.432 -172.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.73 -19.69 28.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.397 0.618 . . . . 0.0 109.471 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.565 ' HB3' HD13 ' A' 1086 ' ' LEU . 63.8 mtt-85 -85.98 92.46 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.377 173.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.418 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.6 mtmm -125.88 170.25 11.84 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.905 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 140.57 -153.67 23.74 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.648 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' 1105 ' ' TRP . 28.1 m -93.74 141.9 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.954 0.407 . . . . 0.0 110.73 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.432 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.9 p90 -136.9 136.84 21.81 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.6 Cg_endo -68.05 122.3 9.38 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.969 2.446 . . . . 0.0 112.12 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.9 t -62.59 -28.13 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.638 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.2 m -70.47 -13.01 61.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.736 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -100.42 0.58 40.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.735 0.303 . . . . 0.0 111.401 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 25.2 m -124.93 154.33 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.204 0.526 . . . . 0.0 111.825 -174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.441 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -111.7 104.09 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.494 HG12 HG12 ' A' 1072 ' ' VAL . 21.7 mt -73.1 138.7 20.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.04 0.447 . . . . 0.0 111.568 -170.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.418 HD11 ' CB ' ' A' 1071 ' ' ARG . 11.9 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.01 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' 1095 ' ' ILE . 85.8 mtm180 -124.99 160.04 29.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.597 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.3 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.543 ' HB2' HD22 ' A' 1127 ' ' LEU . 7.9 tmtt? -125.48 108.07 11.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.513 HG21 HG11 ' A' 1124 ' ' VAL . 64.4 p -57.12 134.39 55.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.672 -170.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.442 HG22 ' HB2' ' A' 1125 ' ' HIS . 6.1 pt -115.62 0.64 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.346 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.441 ' CD2' HG13 ' A' 1075 ' ' ILE . 75.8 m-85 -140.65 151.27 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.291 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.441 ' OD1' HG22 ' A' 1089 ' ' ILE . 20.4 t70 -77.7 133.67 38.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.69 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 40.6 t -124.28 120.32 31.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -107.93 98.61 8.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -64.42 136.96 57.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -107.31 -25.38 11.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.499 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 27.1 m-80 -105.97 146.92 29.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.426 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.36 -13.48 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.542 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' 1118 ' ' VAL . 34.0 m-20 -89.51 -7.21 55.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 46.5 mt-10 -95.4 162.31 13.71 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 65.7 tp -107.89 144.8 34.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 45.5 m -106.76 128.1 53.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.788 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.476 ' CD1' HG23 ' A' 1074 ' ' THR . 24.1 p90 -158.69 158.89 34.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.596 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.05 171.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.57 114.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.242 0.339 . . . . 0.0 110.2 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.82 4.73 12.63 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.128 -1.034 . . . . 0.0 113.0 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' 1089 ' ' ILE . 6.4 mm-40 -89.18 127.08 35.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 48.9 t -87.49 124.72 41.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.524 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 54.3 mt -117.28 131.37 70.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.416 HG12 ' HG2' ' A' 1071 ' ' ARG . 39.7 mt -95.8 118.6 42.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 42.4 t -69.6 106.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 123.943 0.777 . . . . 0.0 110.282 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 44.1 p -97.61 -17.52 19.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.64 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.63 171.58 35.38 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.019 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -137.3 125.17 22.61 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -98.32 -52.93 3.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.361 0.6 . . . . 0.0 110.839 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.72 -166.24 2.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.08 -172.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.73 -33.48 66.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.602 0.715 . . . . 0.0 109.966 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.71 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -120.34 9.94 11.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.999 -172.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.71 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.9 m95 -137.38 107.3 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.771 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.1 m0 -110.69 163.99 13.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 82.2 mt -113.83 134.42 56.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.502 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -160.96 -171.0 26.34 Favored Glycine 0 N--CA 1.434 -1.439 0 C-N-CA 119.834 -1.174 . . . . 0.0 112.232 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.512 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.4 p-80 -136.41 152.11 50.25 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.505 HD11 HG12 ' A' 1094 ' ' ILE . 29.7 mm -71.27 131.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 131.41 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.728 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.22 -39.6 2.83 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.155 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.1 tp60 -127.64 92.03 43.95 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 110.708 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.15 4.13 6.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 123.214 2.609 . . . . 0.0 112.27 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.55 -16.5 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 0.0 110.207 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.421 ' NH1' HG13 ' A' 1109 ' ' ILE . 10.2 ttm180 -99.19 92.46 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.512 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 30.8 mtmm -126.85 176.43 7.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.358 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.83 -166.21 29.28 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.994 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.1 m -88.1 143.33 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.47 . . . . 0.0 110.431 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.502 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.3 p90 -140.85 134.82 15.06 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.527 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' 1103 ' ' GLU . 19.8 Cg_endo -64.37 124.82 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.64 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 16.2 t -61.58 -28.74 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.806 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 m -75.75 7.86 3.49 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.95 -2.2 14.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.597 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.2 m -124.69 151.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.252 0.548 . . . . 0.0 112.111 -172.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.442 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.8 t60 -103.88 101.4 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.824 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.522 HG12 HG12 ' A' 1072 ' ' VAL . 65.6 mt -66.76 139.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -170.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' 1073 ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.348 172.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.471 ' HD2' HG23 ' A' 1096 ' ' VAL . 4.3 ttm180 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.899 0.381 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -126.94 158.05 37.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.578 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 33.8 m -133.17 146.15 32.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.812 0.339 . . . . 0.0 110.389 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.517 ' HB2' HD23 ' A' 1127 ' ' LEU . 17.1 tptp -110.58 100.8 9.53 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.54 HG21 HG13 ' A' 1124 ' ' VAL . 74.5 p -53.87 124.85 16.55 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.374 0.607 . . . . 0.0 111.8 -174.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.435 HG13 ' CD1' ' A' 1076 ' ' TYR . 2.1 pt -108.09 1.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.134 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' 1123 ' ' PHE . 74.8 m-85 -133.97 152.93 52.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.079 177.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.44 130.37 35.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.253 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.9 t -131.08 117.51 19.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.789 0.328 . . . . 0.0 110.387 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.535 ' HA ' HG21 ' A' 1087 ' ' THR . 11.2 pt20 -109.84 99.11 8.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.441 0.638 . . . . 0.0 110.15 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -63.45 141.8 58.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.996 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.12 -33.99 12.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.423 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -108.49 150.24 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.385 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.44 -8.26 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.091 0.472 . . . . 0.0 110.848 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.405 ' O ' HG21 ' A' 1118 ' ' VAL . 19.5 m-20 -71.47 -21.34 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.558 0.694 . . . . 0.0 109.15 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 28.7 mt-10 -102.94 163.17 12.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.298 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.41 HD23 HD12 ' A' 1094 ' ' ILE . 63.0 tp -109.73 143.96 38.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.367 0.604 . . . . 0.0 111.952 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.535 HG21 ' HA ' ' A' 1079 ' ' GLN . 90.9 m -106.34 131.43 53.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.906 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.4 p90 -161.5 162.4 30.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.895 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.49 167.64 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.85 118.32 4.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.756 0.312 . . . . 0.0 110.425 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.61 -4.43 13.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.024 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.45 ' HG2' HD12 ' A' 1089 ' ' ILE . 8.7 mm-40 -78.82 138.33 38.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.856 0.36 . . . . 0.0 110.625 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 39.2 t -91.79 126.89 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.578 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 48.2 mt -119.79 129.08 75.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 26.5 mt -93.12 120.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' 1070 ' ' ARG . 93.7 t -69.28 111.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.424 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 74.9 p -108.51 -17.54 13.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.575 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.03 176.82 37.59 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.836 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -146.38 131.74 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -106.18 -48.37 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 22.1 t70 -136.49 -173.53 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.291 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.525 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 17.7 pt20 -70.65 -33.14 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.246 -177.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.525 ' HG2' ' HG3' ' A' 1102 ' ' GLN . 3.3 pt-20 -124.54 20.45 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.526 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.495 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 91.2 m95 -137.73 104.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.389 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.52 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.5 m0 -113.21 167.28 10.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.242 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.44 136.89 49.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -164.89 -166.73 24.33 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 119.705 -1.236 . . . . 0.0 112.439 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.457 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.8 p-80 -140.03 150.4 44.35 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.546 HD11 HG12 ' A' 1094 ' ' ILE . 28.0 mm -69.8 126.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.089 0.471 . . . . 0.0 110.216 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.528 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 14.9 tt0 -72.86 123.34 23.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.27 -11.49 68.96 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.665 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.97 72.5 8.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -13.47 40.06 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.236 2.624 . . . . 0.0 113.216 -172.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.27 -6.18 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.466 ' NH1' HG13 ' A' 1109 ' ' ILE . 13.1 ttm180 -106.41 95.37 5.71 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.617 ' HB2' ' HZ3' ' A' 1116 ' ' LYS . 7.5 mtmp? -121.66 177.19 5.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.797 0.332 . . . . 0.0 110.771 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.59 -169.37 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.078 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.8 m -85.14 142.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.227 0.537 . . . . 0.0 110.784 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.464 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.7 p90 -137.53 134.78 18.63 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.07 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.25 124.23 12.65 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.57 2.18 . . . . 0.0 111.387 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.456 HG21 ' C ' ' A' 1103 ' ' GLU . 12.3 t -67.42 -25.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.331 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 11.7 p -74.43 -7.93 54.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.777 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.587 ' HA ' ' CD1' ' A' 1076 ' ' TYR . 4.9 m-85 -103.7 1.27 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.021 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.5 m -128.33 158.27 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.34 102.61 9.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.509 HG12 HG11 ' A' 1072 ' ' VAL . 33.2 mt -66.97 143.39 15.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -169.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' 1073 ' ' LYS . 4.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.051 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.56 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 ptp180 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.196 0.522 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -124.61 173.59 8.4 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.603 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 27.9 m -140.78 153.91 21.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.952 0.406 . . . . 0.0 110.092 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.4 ' HE2' HG21 ' A' 1093 ' ' VAL . 12.0 tppt? -113.61 113.87 25.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.477 HG21 HG12 ' A' 1124 ' ' VAL . 81.0 p -62.57 114.23 3.44 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 26.4 pt -95.99 -12.27 8.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.352 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' 1123 ' ' PHE . 42.0 m-85 -130.88 158.54 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.427 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 6.4 p-10 -91.99 134.29 34.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 0.0 110.094 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.7 t -121.91 112.72 18.65 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.886 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.79 97.18 10.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.443 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' 1085 ' ' GLU . . . -52.83 129.98 31.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.228 -178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -95.95 -34.35 11.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.54 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.636 ' HB3' ' HB2' ' A' 1085 ' ' GLU . 48.3 t-20 -92.94 147.25 22.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.89 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.63 -21.68 61.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.209 0.528 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.28 3.42 54.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.852 0.834 . . . . 0.0 109.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.636 ' HB2' ' HB3' ' A' 1082 ' ' ASN . 20.0 tt0 -101.28 167.62 10.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.599 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' 1115 ' ' ARG . 50.4 tp -112.38 140.62 46.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.356 0.598 . . . . 0.0 112.269 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.7 m -103.2 126.05 50.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.58 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.402 ' CD1' HG23 ' A' 1074 ' ' THR . 25.6 p90 -157.84 166.12 33.51 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.035 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.524 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.65 168.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.427 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 2.9 mp0 -56.6 119.33 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.38 -2.92 13.99 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.821 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.45 142.84 28.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.994 0.425 . . . . 0.0 110.684 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' 1073 ' ' LYS . 47.3 t -99.2 125.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.52 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 64.0 mt -113.11 133.27 59.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.498 HD13 ' CD ' ' A' 1110 ' ' GLU . 8.4 mt -93.18 117.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.56 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 60.5 t -70.28 110.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.571 -177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 45.0 p -111.05 -1.25 16.35 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.916 -175.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.65 165.6 38.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.579 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -136.13 120.67 18.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.933 0.397 . . . . 0.0 110.272 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.413 ' HG2' HG13 ' A' 1106 ' ' ILE . 17.7 mm-40 -95.03 -48.03 6.14 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.421 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.3 t70 -138.58 -165.04 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.236 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.478 ' H ' ' CG ' ' A' 1101 ' ' ASP . 37.0 mt-30 -80.67 -33.35 35.62 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.343 0.592 . . . . 0.0 109.547 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -115.98 11.52 15.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.803 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.571 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.8 m95 -135.35 110.76 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.715 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.411 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.4 m0 -116.48 167.21 11.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.1 mt -114.1 135.06 55.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.8 -178.01 41.14 Favored Glycine 0 N--CA 1.437 -1.272 0 C-N-CA 119.826 -1.178 . . . . 0.0 112.402 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.3 p-80 -133.39 148.71 51.83 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.483 -0.359 . . . . 0.0 110.548 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.505 HD11 HG12 ' A' 1094 ' ' ILE . 25.6 mm -62.07 124.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.498 ' CD ' HD13 ' A' 1095 ' ' ILE . 4.6 tp10 -61.51 127.42 31.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.279 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.37 -21.28 45.19 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.683 -176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.7 tp60 -141.75 88.08 9.74 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.19 -4.94 14.66 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.956 2.438 . . . . 0.0 112.565 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -67.14 -31.21 71.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.535 0.683 . . . . 0.0 109.332 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.573 ' HB3' HD12 ' A' 1086 ' ' LEU . 85.6 mtt180 -98.74 97.2 8.47 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.591 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.527 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 48.5 pttt -148.27 162.37 39.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.099 0.476 . . . . 0.0 112.237 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.38 -154.06 25.24 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.809 -176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.6 m -88.48 142.4 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 117.218 0.509 . . . . 0.0 111.209 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.477 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.2 p90 -142.14 135.89 14.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.2 Cg_endo -67.82 123.25 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.79 2.326 . . . . 0.0 111.984 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.49 ' HA ' HG22 ' A' 1124 ' ' VAL . 19.6 t -65.27 -21.62 29.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.916 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 21.9 t -68.98 -10.57 58.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.691 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.43 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.4 m-85 -106.56 0.43 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.661 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.603 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.7 m -136.01 152.1 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.998 0.427 . . . . 0.0 112.012 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.58 119.78 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.53 HG13 HG12 ' A' 1072 ' ' VAL . 5.2 mp -72.93 132.51 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.349 0.595 . . . . 0.0 111.861 -172.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.102 -0.953 . . . . 0.0 108.632 175.722 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.506 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 9.7 tpt180 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' 1071 ' ' ARG . 44.0 mtt85 -120.07 154.51 34.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 36.0 m -137.21 162.83 33.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.504 ' HG3' HG23 ' A' 1093 ' ' VAL . 74.0 tttt -138.47 118.35 13.28 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' 1088 ' ' PHE . 60.0 p -57.74 119.39 6.56 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.956 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 3.5 pt -104.94 -3.64 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.244 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -138.57 151.25 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.052 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.33 129.99 36.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 46.7 t -126.47 123.69 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.488 . . . . 0.0 110.061 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -105.57 99.36 8.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.062 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -62.68 112.62 2.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.458 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.382 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' 1084 ' ' ASP . 33.0 t30 -107.18 145.86 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.539 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.28 -12.37 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 111.424 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.41 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 8.1 m-20 -75.28 -21.74 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.395 0.617 . . . . 0.0 109.47 173.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 65.8 mt-10 -87.1 155.13 20.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.423 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' 1115 ' ' ARG . 59.0 tp -95.01 142.61 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.093 0.473 . . . . 0.0 110.81 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.4 m -107.23 123.87 48.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.486 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.469 ' CG ' HG23 ' A' 1074 ' ' THR . 12.5 p90 -150.15 158.37 44.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.522 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.01 165.92 12.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.85 115.04 1.96 Allowed 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.238 0.336 . . . . 0.0 110.921 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.14 6.04 11.19 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.372 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -95.51 130.83 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.231 0.515 . . . . 0.0 109.63 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.504 HG23 ' HG3' ' A' 1073 ' ' LYS . 99.2 t -89.92 132.98 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.564 HG12 HD11 ' A' 1109 ' ' ILE . 51.7 mt -117.79 132.33 67.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.727 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.408 HG13 ' HG2' ' A' 1110 ' ' GLU . 25.6 mt -93.34 118.15 38.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.506 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 42.7 t -70.91 109.4 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.089 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 66.9 p -97.07 -5.57 37.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.108 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -174.24 167.63 40.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.894 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' 1105 ' ' TRP . 42.4 mt-10 -137.08 117.62 13.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.184 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.39 -54.43 3.92 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.446 0.641 . . . . 0.0 110.242 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -129.35 -166.15 1.61 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.441 -173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -78.44 -36.53 45.39 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.274 0.559 . . . . 0.0 109.795 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.0 pt-20 -115.46 13.57 16.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.848 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.58 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 96.6 m95 -138.03 104.49 5.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.43 0.633 . . . . 0.0 111.052 -176.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.1 m0 -113.42 168.43 9.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.416 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.3 mt -118.97 137.16 53.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.31 -168.37 33.64 Favored Glycine 0 N--CA 1.437 -1.285 0 C-N-CA 119.817 -1.183 . . . . 0.0 112.419 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.408 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -135.68 152.66 51.4 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 124.027 0.486 . . . . 0.0 109.965 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.564 HD11 HG12 ' A' 1094 ' ' ILE . 24.5 mm -74.52 133.83 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.408 ' HG2' HG13 ' A' 1095 ' ' ILE . 7.7 mm-40 -68.97 135.3 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.582 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 81.17 -17.65 12.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.631 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.42 HE21 ' HD2' ' A' 1115 ' ' ARG . 12.0 mt-30 -136.0 67.67 63.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.35 -5.79 15.88 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.968 2.445 . . . . 0.0 112.308 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.84 -10.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.992 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.547 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.9 mtt180 -99.98 96.39 7.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.861 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.408 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.9 mtmt -128.28 177.23 7.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.551 175.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 139.97 -165.3 25.97 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.906 173.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' 1105 ' ' TRP . 29.8 m -88.56 136.88 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 0.0 110.33 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.475 ' HE1' ' N ' ' A' 1107 ' ' GLY . 26.4 p90 -134.66 139.52 32.72 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.476 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.3 Cg_endo -69.64 122.81 9.52 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.586 2.19 . . . . 0.0 111.993 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.438 ' HA ' HG23 ' A' 1124 ' ' VAL . 38.3 t -64.34 -24.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.485 -175.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 -5.7 28.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.603 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -111.9 2.78 17.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.395 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.7 m -125.75 150.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.485 0.66 . . . . 0.0 112.292 -173.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -108.0 111.55 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.236 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.491 HG12 HG11 ' A' 1072 ' ' VAL . 45.7 mt -70.75 144.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.587 0.232 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.553 ' HG3' HG12 ' A' 1095 ' ' ILE . 5.9 mpt_? -119.83 154.62 34.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.464 . . . . 0.0 109.948 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.607 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -133.36 138.34 51.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.6 tmtt? -111.08 106.21 15.19 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.521 HG22 ' CD1' ' A' 1088 ' ' PHE . 69.6 p -56.69 126.25 25.95 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.908 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.457 HG22 ' HB2' ' A' 1125 ' ' HIS . 8.7 pt -111.87 1.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.227 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -137.77 140.12 40.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.833 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.23 134.35 37.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.188 0.518 . . . . 0.0 109.894 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 35.7 t -120.02 94.13 4.29 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.763 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -84.55 88.34 7.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.94 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -55.78 129.63 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.187 -174.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.42 -28.79 20.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.481 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -103.76 142.63 34.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.531 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.06 -17.75 63.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.85 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.89 -29.36 62.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.026 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 48.0 mt-10 -79.05 147.59 32.77 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.703 177.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.8 142.79 31.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.577 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.5 m -106.99 124.18 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.57 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.521 ' CD1' HG22 ' A' 1074 ' ' THR . 25.6 p90 -155.09 161.83 41.18 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 -178.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.03 171.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.09 118.98 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.91 -4.26 14.3 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.253 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.74 129.55 34.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 110.27 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.6 t -92.66 118.28 37.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.532 HG12 HD13 ' A' 1109 ' ' ILE . 42.3 mt -108.54 132.28 56.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.653 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.553 HG12 ' HG3' ' A' 1071 ' ' ARG . 19.8 mt -95.02 120.44 44.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.828 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 80.6 t -69.34 110.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.574 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 80.1 p -106.6 -15.76 14.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.365 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -155.92 174.12 33.88 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.709 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.99 133.16 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.839 0.319 . . . . 0.0 110.637 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.45 -45.24 4.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.267 0.556 . . . . 0.0 109.948 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' A' 1102 ' ' GLN . 16.5 t70 -147.86 -171.11 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.427 ' H ' ' CG ' ' A' 1101 ' ' ASP . 8.7 pt20 -80.9 -18.26 47.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.502 0.592 . . . . 0.0 110.008 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.658 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.9 pt-20 -116.51 9.78 14.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.044 0.45 . . . . 0.0 110.328 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.658 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.7 m95 -141.04 104.56 4.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.31 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 51.5 m0 -112.51 164.35 13.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.814 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.14 136.67 51.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.456 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -166.79 -165.3 23.95 Favored Glycine 0 N--CA 1.437 -1.254 0 C-N-CA 119.443 -1.361 . . . . 0.0 112.413 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.435 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -138.78 151.96 47.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -177.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.532 HD13 HG12 ' A' 1094 ' ' ILE . 36.3 mm -75.38 127.6 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.12 128.87 38.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.5 -22.14 40.57 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.206 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -141.56 75.31 22.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.3 11.72 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.079 2.519 . . . . 0.0 113.218 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -92.27 -26.8 17.97 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -84.77 87.93 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.435 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 31.3 mtmt -122.44 177.53 5.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.212 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 145.51 -161.52 28.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.292 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 16.3 m -90.16 138.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 110.352 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 32.4 p90 -138.8 134.77 17.27 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.563 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' 1103 ' ' GLU . 22.0 Cg_endo -65.95 122.13 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.508 2.139 . . . . 0.0 111.965 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.67 -21.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.968 -175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.6 m -72.56 -2.6 20.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.42 -0.35 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.754 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.607 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.1 m -122.72 147.61 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.413 0.625 . . . . 0.0 112.085 -172.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.457 ' HB2' HG22 ' A' 1075 ' ' ILE . 2.8 t60 -98.21 100.75 12.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.485 HG12 HG12 ' A' 1072 ' ' VAL . 52.6 mt -72.88 144.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.109 0.481 . . . . 0.0 112.042 -169.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' 1071 ' ' ARG . 3.2 mt . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.518 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 40.0 ttm180 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.308 0.575 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.06 168.14 11.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 174.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -139.08 162.41 27.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.482 ' HB2' HD21 ' A' 1127 ' ' LEU . 76.1 tttt -138.64 115.43 10.73 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.52 HG21 ' CD1' ' A' 1088 ' ' PHE . 70.1 p -59.42 124.75 21.05 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.088 -171.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' 1125 ' ' HIS . 15.8 pt -105.2 -1.15 9.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.282 0.563 . . . . 0.0 110.106 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.439 ' CD2' HG13 ' A' 1075 ' ' ILE . 86.8 m-85 -139.79 158.73 43.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.407 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 5.9 p-10 -90.39 140.25 29.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.302 0.573 . . . . 0.0 110.343 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 31.2 t -125.08 116.9 22.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.581 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.487 ' HA ' HG23 ' A' 1087 ' ' THR . 97.3 mt-30 -100.2 94.06 6.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.89 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -64.56 116.85 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.488 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -94.76 1.46 55.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.699 . . . . 0.0 109.664 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.63 ' HB3' ' HG2' ' A' 1085 ' ' GLU . 18.7 t30 -130.17 134.41 47.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -13.52 62.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.886 0.374 . . . . 0.0 111.644 -171.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.52 -17.61 47.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.63 ' HG2' ' HB3' ' A' 1082 ' ' ASN . 6.6 mm-40 -81.43 -169.66 2.4 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.561 HD22 HG12 ' A' 1109 ' ' ILE . 58.5 tp -130.75 141.07 50.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.99 0.424 . . . . 0.0 111.254 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' 1079 ' ' GLN . 5.5 m -103.48 123.43 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.811 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' 1074 ' ' THR . 15.2 p90 -153.61 165.55 35.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.26 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.508 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.0 167.78 16.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 1.5 mp0 -54.75 117.91 3.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.252 0.345 . . . . 0.0 110.82 -178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.8 -2.28 13.47 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.091 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -84.12 131.18 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.941 0.371 . . . . 0.0 110.455 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 94.3 t -87.55 135.47 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.522 HG12 HD13 ' A' 1109 ' ' ILE . 66.6 mt -129.5 138.82 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.5 mt -99.56 122.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 88.1 t -71.59 112.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.072 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 62.4 p -105.88 -17.6 14.31 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.88 178.01 38.75 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.18 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -137.58 134.02 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.674 0.274 . . . . 0.0 110.929 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -107.71 -50.7 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.26 0.552 . . . . 0.0 110.307 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -139.07 -179.83 6.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.904 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -77.19 -15.99 59.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 0.0 110.339 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.627 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.0 pt-20 -122.46 9.5 9.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.753 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.627 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 90.3 m95 -139.93 108.32 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.757 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.518 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 49.4 m0 -110.79 168.34 9.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.134 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' 1117 ' ' GLY . 81.9 mt -113.18 135.38 52.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.23 -177.87 42.04 Favored Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.613 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' 1113 ' ' PRO . 2.5 p-80 -132.57 150.8 52.1 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 123.651 0.265 . . . . 0.0 110.565 -176.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.561 HG12 HD22 ' A' 1086 ' ' LEU . 19.7 mm -58.95 124.91 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.546 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.58 129.44 39.87 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.47 -9.17 69.25 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.346 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -162.31 90.17 1.36 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.278 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1113 ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' A' 1108 ' ' HIS . 21.3 Cg_exo -65.6 -7.6 16.79 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.399 2.733 . . . . 0.0 112.603 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.06 -41.78 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.478 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.51 ' HB3' HD12 ' A' 1086 ' ' LEU . 36.0 mtt180 -86.08 89.57 7.86 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.776 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.443 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -138.77 166.65 23.86 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.545 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1117 ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 153.45 -151.57 23.31 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.4 m -92.82 140.39 16.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.013 0.435 . . . . 0.0 110.661 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.9 p90 -139.56 136.69 17.88 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.41 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.1 Cg_endo -65.51 123.61 11.68 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.731 2.287 . . . . 0.0 111.812 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.419 HG21 ' C ' ' A' 1103 ' ' GLU . 12.5 t -65.01 -25.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.46 -175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.5 p -69.04 -16.28 63.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -97.27 1.38 49.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.4 m -129.69 148.38 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.45 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.0 OUTLIER -104.08 121.32 42.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.503 HG12 HG12 ' A' 1072 ' ' VAL . 70.5 mt -75.02 136.25 25.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.364 0.602 . . . . 0.0 112.278 -170.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' 1073 ' ' LYS . 3.2 mt . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.538 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 17.6 tpp85 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.741 0.782 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 65.9 mtt180 -126.13 169.51 12.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.8 m -139.84 144.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.545 ' HE2' HG21 ' A' 1093 ' ' VAL . 9.7 tptp -108.38 106.49 16.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1074 ' ' THR . . . . . . . . . . . . . 61.4 p -54.82 112.49 1.05 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.542 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' 1125 ' ' HIS . 6.2 pt -102.52 5.33 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.53 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -145.08 139.96 27.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.141 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.39 118.63 11.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 173.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 41.4 t -117.22 107.21 14.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.147 0.498 . . . . 0.0 111.454 -177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -94.18 95.14 8.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.416 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -54.91 146.85 16.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.394 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.33 -35.05 12.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.486 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -114.07 158.43 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.87 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.0 -16.78 62.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.191 0.52 . . . . 0.0 110.091 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -67.73 -30.87 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.69 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 36.8 mt-10 -87.07 153.0 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 108.849 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.478 HD22 HD11 ' A' 1094 ' ' ILE . 45.0 tp -91.03 138.64 31.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.235 0.54 . . . . 0.0 111.146 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.5 m -104.83 120.4 41.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.349 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.569 ' HB3' HD11 ' A' 1109 ' ' ILE . 26.3 p90 -146.7 158.82 43.99 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.657 -175.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.45 157.97 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.305 0.574 . . . . 0.0 110.367 178.082 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.66 116.71 3.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.62 -173.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.88 -3.02 14.8 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.029 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.86 159.76 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.651 0.738 . . . . 0.0 112.13 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.545 HG21 ' HE2' ' A' 1073 ' ' LYS . 39.9 t -98.44 126.32 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.224 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.61 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -114.11 129.05 70.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.4 121.36 47.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.538 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 78.6 t -72.27 112.98 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 124.044 0.84 . . . . 0.0 110.22 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 56.0 p -107.49 -2.6 20.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.354 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.45 174.17 46.67 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.887 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -140.71 136.8 32.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 -16.33 6.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.76 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 14.8 t70 -148.94 -170.74 3.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' A' 1101 ' ' ASP . 30.3 tt0 -92.64 -25.03 18.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 0.0 110.063 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.618 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.3 pt-20 -116.82 11.29 14.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 109.842 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.76 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 89.4 m95 -137.92 105.74 5.64 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.897 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.435 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.3 m0 -111.5 165.41 12.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.243 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' 1117 ' ' GLY . 98.8 mt -113.47 131.38 65.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.062 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.96 -176.17 40.01 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.9 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.6 p-80 -131.43 151.97 51.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.726 0.298 . . . . 0.0 110.989 -173.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' 1088 ' ' PHE . 23.7 mm -70.44 123.49 24.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.584 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.85 137.45 53.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.09 34.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.138 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -146.83 80.78 9.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.91 -5.05 12.48 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.89 2.393 . . . . 0.0 112.863 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -73.94 -28.01 61.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 109.861 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -94.35 92.03 6.98 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.569 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -139.99 161.96 36.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1117 ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 162.82 -152.52 22.73 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' 1105 ' ' TRP . 23.9 m -96.88 132.29 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.327 0.584 . . . . 0.0 110.786 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.479 ' HE1' ' N ' ' A' 1107 ' ' GLY . 25.8 p90 -129.62 140.78 39.67 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.26 122.23 9.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.671 2.247 . . . . 0.0 111.752 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 12.1 t -67.71 -23.24 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.746 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 14.0 t -79.31 11.05 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -121.29 0.52 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 28.1 m -129.31 162.12 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 0.0 111.557 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HG22 ' A' 1075 ' ' ILE . 3.2 t60 -117.32 103.84 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.489 HG12 HG11 ' A' 1072 ' ' VAL . 68.0 mt -62.15 132.44 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -169.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' 1073 ' ' LYS . 11.6 mt . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.841 -1.072 . . . . 0.0 108.294 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.507 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 7.2 tpt180 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.598 0.237 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.513 ' HG2' HG12 ' A' 1095 ' ' ILE . 72.3 mtm-85 -131.33 157.15 44.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.571 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.0 m -131.13 150.42 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.025 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.551 ' HB2' HD22 ' A' 1127 ' ' LEU . 18.3 tptm -116.21 102.84 9.94 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.515 HG22 HG11 ' A' 1124 ' ' VAL . 68.2 p -53.97 132.4 42.16 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.025 0.441 . . . . 0.0 111.462 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.8 pt -118.97 -6.45 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' 1075 ' ' ILE . 96.0 m-85 -133.14 143.61 49.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.953 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.03 132.33 51.6 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.933 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 50.7 t -133.38 94.43 3.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 110.318 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.536 ' HA ' HG22 ' A' 1087 ' ' THR . 6.8 pt20 -92.75 95.11 9.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.625 0.726 . . . . 0.0 109.881 176.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -55.8 141.65 37.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.027 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.4 -34.18 10.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.509 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.527 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 10.7 m120 -90.14 159.74 16.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.31 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.08 -23.99 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.472 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.76 -23.1 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.795 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 62.0 mt-10 -75.58 145.8 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.61 HD23 HG12 ' A' 1109 ' ' ILE . 53.9 tp -91.62 141.6 28.53 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.282 0.563 . . . . 0.0 111.167 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' 1079 ' ' GLN . 7.5 m -101.46 123.15 45.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.688 176.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -154.62 162.03 41.32 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.0 166.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.02 119.01 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.16 0.288 . . . . 0.0 110.623 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.99 -0.59 14.88 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.536 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.424 ' HG2' HD11 ' A' 1089 ' ' ILE . 10.1 mm-40 -84.6 136.07 33.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 110.711 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 28.7 t -91.77 124.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.448 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -116.8 129.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.98 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.513 HG12 ' HG2' ' A' 1071 ' ' ARG . 24.7 mt -91.53 119.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.507 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 59.6 t -69.99 113.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.407 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 57.5 p -108.24 -7.84 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.97 172.08 41.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -141.28 129.15 21.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 110.21 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -104.29 -54.14 2.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.901 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' 1102 ' ' GLN . 13.3 t70 -136.73 -167.48 2.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.72 -172.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.469 ' H ' ' CG ' ' A' 1101 ' ' ASP . 4.6 tp-100 -72.21 -38.34 69.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 0.0 109.729 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' 1120 ' ' PRO . 5.3 pt-20 -120.92 18.9 11.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.773 -174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 85.8 m95 -141.5 108.96 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.507 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.6 m0 -114.45 174.91 5.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.405 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.85 136.64 57.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -169.56 -166.37 28.46 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.577 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.546 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.5 OUTLIER -134.33 154.93 51.05 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.602 0.236 . . . . 0.0 110.387 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.61 HG12 HD23 ' A' 1086 ' ' LEU . 21.9 mm -75.15 132.39 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.43 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.452 ' HG2' HG13 ' A' 1095 ' ' ILE . 6.0 mm-40 -72.33 132.88 44.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.71 -34.01 4.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.589 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -134.79 72.78 68.21 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.03 -3.46 13.68 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 123.404 2.736 . . . . 0.0 112.99 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -81.08 -14.27 57.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.142 0.496 . . . . 0.0 110.16 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' 1086 ' ' LEU . 33.9 mtt-85 -86.93 94.58 9.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.546 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.4 mtmp? -126.83 166.93 16.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.003 0.43 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.02 -157.73 27.44 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.015 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.0 m -89.24 140.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.07 0.462 . . . . 0.0 110.772 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 29.8 p90 -139.44 136.85 18.14 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.061 178.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.8 Cg_endo -66.88 122.07 9.36 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.425 ' HA ' HG23 ' A' 1124 ' ' VAL . 42.4 t -65.31 -28.23 43.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.005 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.9 m -66.53 -16.51 64.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.789 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.462 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.6 m-85 -99.58 2.9 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.493 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.571 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 26.7 m -127.74 157.44 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 0.0 111.945 -175.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -115.53 101.1 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.527 HG12 HG11 ' A' 1072 ' ' VAL . 66.4 mt -61.63 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.313 0.577 . . . . 0.0 112.479 -172.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' 1073 ' ' LYS . 14.1 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.489 HH11 HG11 ' A' 1096 ' ' VAL . 41.6 ttm180 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 121.008 0.433 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -127.74 148.63 50.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.551 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 32.6 m -132.06 152.64 37.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.551 ' HB2' HD23 ' A' 1127 ' ' LEU . 14.7 tptp -118.92 104.14 10.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.436 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.508 HG22 HG11 ' A' 1124 ' ' VAL . 70.9 p -54.55 133.13 46.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.966 -175.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 12.4 pt -120.22 6.03 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.151 0.5 . . . . 0.0 111.025 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.523 ' N ' ' HB3' ' A' 1090 ' ' GLU . 79.3 m-85 -147.12 149.99 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.046 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.26 136.69 37.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 20.7 t -130.48 108.08 9.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -93.41 94.4 8.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.558 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -40.67 126.72 2.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 113.196 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -100.05 -30.21 12.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.555 ' HB2' ' HB2' ' A' 1085 ' ' GLU . 80.1 m-20 -94.35 148.81 21.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.397 175.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -11.3 60.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -103.79 5.45 36.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.93 . . . . 0.0 109.374 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.555 ' HB2' ' HB2' ' A' 1082 ' ' ASN . 30.5 tt0 -92.14 169.91 10.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.814 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.789 HD23 HG12 ' A' 1109 ' ' ILE . 54.9 tp -116.03 142.26 47.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.949 0.404 . . . . 0.0 111.262 -178.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 8.2 m -102.06 124.13 47.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.17 162.21 41.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.125 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.97 155.48 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.213 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.523 ' HB3' ' N ' ' A' 1076 ' ' TYR . 2.1 pp20? -63.79 126.91 29.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.853 0.835 . . . . 0.0 111.082 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.68 -5.95 14.16 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.747 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.94 151.1 20.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.484 HG23 ' HE2' ' A' 1073 ' ' LYS . 20.1 t -95.33 126.62 47.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.306 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.538 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 55.6 mt -116.15 131.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.527 HD11 ' HE2' ' A' 1108 ' ' HIS . 28.0 mt -96.84 120.89 46.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.489 HG11 HH11 ' A' 1070 ' ' ARG . 44.6 t -73.23 111.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.406 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 59.2 p -106.7 -6.14 18.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.93 171.83 44.69 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.267 -0.492 . . . . 0.0 111.995 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -134.87 126.39 28.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.448 ' OE1' HG11 ' A' 1118 ' ' VAL . 1.9 pt-20 -113.21 -12.2 13.14 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.695 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.707 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.0 t70 -159.23 -173.65 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.401 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.6 tt0 -81.28 -38.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.552 0.615 . . . . 0.0 110.036 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.1 pt-20 -112.46 16.07 19.98 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.707 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 81.9 m95 -138.09 104.6 5.27 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.627 0.727 . . . . 0.0 110.429 178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.491 ' O ' ' HA ' ' A' 1118 ' ' VAL . 52.0 m0 -113.9 167.96 10.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.169 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 91.1 mt -113.19 135.2 53.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -166.39 -164.75 22.54 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.094 -1.051 . . . . 0.0 112.041 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.527 ' HE2' HD11 ' A' 1095 ' ' ILE . 1.7 p-80 -141.18 149.01 40.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.789 HG12 HD23 ' A' 1086 ' ' LEU . 17.7 mm -68.39 125.45 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.43 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 9.8 tp10 -70.81 130.05 40.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.95 11.21 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.18 -172.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -132.64 78.8 66.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.06 -11.78 33.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 123.202 2.601 . . . . 0.0 113.075 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -77.56 -20.59 53.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.422 0.629 . . . . 0.0 109.947 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' 1115 ' ' ARG . 14.6 mmt180 -86.72 86.83 7.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.482 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -125.98 171.9 10.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.4 -164.42 27.68 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.344 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.3 m -88.27 140.85 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.203 0.525 . . . . 0.0 110.795 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.412 ' HE1' ' N ' ' A' 1107 ' ' GLY . 27.6 p90 -138.46 139.73 25.79 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.54 117.28 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.617 2.211 . . . . 0.0 111.971 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.424 ' HA ' HG23 ' A' 1124 ' ' VAL . 30.9 t -64.69 -27.82 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.098 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.0 m -65.76 -13.53 59.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -102.35 1.73 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.551 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.2 m -124.65 156.03 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.802 0.334 . . . . 0.0 111.339 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.88 105.76 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.517 HG12 HG12 ' A' 1072 ' ' VAL . 39.8 mt -67.63 137.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.161 0.505 . . . . 0.0 111.831 -171.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' 1073 ' ' LYS . 14.8 mt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.791 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.601 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 mtt180 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.168 0.509 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 82.7 mtt85 -129.8 161.16 31.39 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 175.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.6 m -142.49 144.5 24.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -114.33 115.51 27.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.135 0.493 . . . . 0.0 109.757 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' 1088 ' ' PHE . 82.3 p -56.18 111.54 0.99 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.997 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.491 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.7 pt -101.35 3.9 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.445 0.641 . . . . 0.0 109.853 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' 1123 ' ' PHE . 94.8 m-85 -137.62 138.46 39.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.793 176.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.33 128.09 35.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.411 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 53.6 t -127.77 93.65 3.75 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.022 0.439 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -89.13 89.02 7.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.119 0.485 . . . . 0.0 109.723 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -49.87 141.95 9.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.526 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.05 -32.02 12.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.412 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.29 150.68 35.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.58 -5.4 45.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.09 0.471 . . . . 0.0 110.812 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.41 -27.23 56.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.759 0.79 . . . . 0.0 109.276 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 25.9 mt-10 -87.04 147.24 25.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 178.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.79 139.07 32.21 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.705 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 4.9 m -102.22 124.77 48.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.51 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.485 ' CD1' HG22 ' A' 1074 ' ' THR . 14.7 p90 -157.92 163.97 37.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.087 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.55 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.12 166.19 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -53.71 120.73 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.228 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.15 -4.73 15.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.796 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.447 ' HG2' HD12 ' A' 1089 ' ' ILE . 24.3 mm-40 -82.12 131.07 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.068 0.461 . . . . 0.0 110.555 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.453 HG11 ' OE2' ' A' 1110 ' ' GLU . 99.0 t -87.74 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.537 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 72.9 mt -121.43 135.06 62.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.435 HG13 ' HB2' ' A' 1110 ' ' GLU . 6.7 mt -94.75 119.24 42.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 40.4 t -71.39 112.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.487 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.535 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 65.2 p -100.55 -20.38 15.73 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.07 176.23 40.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.71 138.06 45.61 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.412 ' OE1' HG11 ' A' 1118 ' ' VAL . 4.5 pt-20 -113.71 -31.06 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.34 0.59 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 18.5 t70 -140.7 -179.64 6.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.0 -26.42 36.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.096 0.474 . . . . 0.0 110.164 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.2 pt-20 -115.01 10.45 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.258 0.551 . . . . 0.0 110.46 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.78 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 90.5 m95 -137.16 109.98 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.777 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.5 m0 -112.05 166.03 11.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.478 HG12 HG12 ' A' 1118 ' ' VAL . 97.1 mt -121.77 137.44 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.049 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.535 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.97 -158.14 15.43 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 119.739 -1.219 . . . . 0.0 112.162 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.465 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.5 p-80 -145.39 148.65 33.57 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' 1115 ' ' ARG . 1.0 OUTLIER -67.13 124.82 23.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.712 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.453 ' OE2' HG11 ' A' 1093 ' ' VAL . 7.7 tt0 -61.58 118.76 7.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.479 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.63 -22.75 37.34 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.243 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.427 HE21 HG23 ' A' 1109 ' ' ILE . 1.9 mp0 -124.8 81.0 61.97 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 109.946 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.98 -4.89 16.15 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.297 2.665 . . . . 0.0 113.196 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -86.33 1.65 50.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.542 0.687 . . . . 0.0 110.017 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.535 ' HB3' HG13 ' A' 1109 ' ' ILE . 8.1 mmt85 -120.46 86.64 2.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.405 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.8 mtmt -118.46 177.16 4.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 143.5 -161.6 27.69 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.789 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.478 HG12 HG12 ' A' 1106 ' ' ILE . 14.6 m -98.22 144.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.851 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 18.1 p90 -140.27 133.97 15.27 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 125.47 14.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.574 2.182 . . . . 0.0 111.346 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' 1103 ' ' GLU . 13.7 t -64.86 -27.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.576 -173.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 t -76.05 -7.62 55.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.664 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 6.3 m-85 -97.25 -0.49 46.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.476 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 35.4 m -130.96 153.76 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 112.18 -174.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.429 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.8 t60 -103.54 106.43 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.885 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.511 HG12 HG12 ' A' 1072 ' ' VAL . 51.3 mt -70.03 143.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' A' 1071 ' ' ARG . 9.1 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.218 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 tpt180 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -126.36 173.2 9.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.604 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.9 m -141.72 147.63 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.557 ' HE2' ' HA2' ' A' 1091 ' ' GLY . 22.5 tptm -113.15 104.54 12.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.509 HG21 HG11 ' A' 1124 ' ' VAL . 72.3 p -54.63 123.15 12.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.101 0.477 . . . . 0.0 111.57 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.608 HD11 ' HD1' ' A' 1125 ' ' HIS . 6.4 pt -107.82 -3.56 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.437 ' CD2' HG13 ' A' 1075 ' ' ILE . 81.3 m-85 -136.0 151.82 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.76 123.3 25.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.683 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.451 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.2 t -125.21 103.36 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.055 0.455 . . . . 0.0 110.196 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -95.96 95.29 8.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.707 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.21 130.76 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.294 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -83.92 -29.29 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.584 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -107.56 149.12 28.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.024 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.91 -8.06 55.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.208 0.528 . . . . 0.0 110.126 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.37 -22.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.217 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.514 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 29.8 mt-10 -102.15 153.15 20.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.622 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.456 HD23 HD13 ' A' 1094 ' ' ILE . 58.0 tp -90.91 139.88 30.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.342 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.8 m -100.86 130.31 46.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.35 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 20.3 p90 -159.51 166.32 31.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 167.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.14 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.85 114.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.421 0.451 . . . . 0.0 110.875 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1091 ' ' GLY . . . . . 0.557 ' HA2' ' HE2' ' A' 1073 ' ' LYS . . . 118.24 5.88 12.67 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.003 -0.618 . . . . 0.0 113.152 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' 1089 ' ' ILE . 59.0 mm-40 -89.11 143.82 26.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.0 110.545 175.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 47.4 t -102.06 125.77 56.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.824 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.547 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -118.74 138.31 49.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.734 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' 1108 ' ' HIS . 3.9 mp -93.4 122.54 44.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.439 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 62.1 t -69.16 108.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.441 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.1 p -112.72 1.72 15.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.644 -174.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.4 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.426 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -141.73 120.4 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.619 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.427 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.2 mm-40 -96.11 -43.08 7.91 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.564 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' 1102 ' ' GLN . 8.1 t70 -148.43 -162.02 1.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.402 ' H ' ' CG ' ' A' 1101 ' ' ASP . 61.8 tt0 -84.45 -31.17 24.73 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.632 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.4 pt-20 -110.37 11.26 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.078 0.466 . . . . 0.0 110.75 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.632 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.1 m95 -139.62 107.97 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.865 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -116.45 165.85 12.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.153 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.427 HG13 ' HG2' ' A' 1100 ' ' GLU . 80.3 mt -114.1 140.89 32.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.473 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -165.45 -174.98 35.62 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.557 -1.306 . . . . 0.0 112.804 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.615 ' CD2' HD13 ' A' 1095 ' ' ILE . 2.0 p-80 -136.86 146.39 45.52 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.508 HD13 HG12 ' A' 1094 ' ' ILE . 21.1 mm -67.06 135.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.574 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.483 ' OE1' HD11 ' A' 1095 ' ' ILE . 1.5 mm-40 -53.15 115.99 2.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 175.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.97 -11.06 69.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.891 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -133.91 92.4 22.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.794 0.33 . . . . 0.0 111.308 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.83 0.42 6.48 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.857 2.371 . . . . 0.0 110.461 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.26 -36.08 22.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.028 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -90.55 90.97 8.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.173 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.507 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.4 mtmm -132.19 173.94 10.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.843 0.354 . . . . 0.0 110.605 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 142.07 -167.04 26.16 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.156 174.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.1 m -83.96 143.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.473 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.7 p90 -144.59 134.33 11.62 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' 1103 ' ' GLU . 27.7 Cg_endo -65.06 124.63 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.72 2.28 . . . . 0.0 111.565 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.2 t -65.18 -25.07 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.576 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 33.0 t -75.88 -3.8 37.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.419 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 13.5 m-85 -102.66 0.59 33.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.604 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.2 m -132.37 159.7 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.218 -176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.608 ' HD1' HD11 ' A' 1075 ' ' ILE . 1.6 t60 -116.36 108.1 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.518 HG12 HG13 ' A' 1072 ' ' VAL . 60.0 mt -65.77 141.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -168.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.449 -0.493 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.288 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.674 0.749 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.468 ' HD2' ' CZ3' ' A' 1105 ' ' TRP . 10.3 ptp85 -78.87 163.88 24.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.93 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.411 ' HG2' HG12 ' A' 1095 ' ' ILE . 50.2 mtt85 -119.02 146.72 44.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.582 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 31.5 m -129.93 148.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.138 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.438 ' HE2' HG22 ' A' 1093 ' ' VAL . 18.0 tptp -117.36 103.11 9.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.549 HG21 HG12 ' A' 1124 ' ' VAL . 80.6 p -53.78 122.41 9.9 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.207 0.527 . . . . 0.0 111.829 -174.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' 1125 ' ' HIS . 10.6 pt -106.61 -3.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -139.12 148.36 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.205 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.26 136.83 36.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 33.8 t -124.37 103.96 8.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -89.63 90.28 8.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.867 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -62.85 151.71 38.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.384 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.4 -33.29 4.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.087 0.47 . . . . 0.0 110.154 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.8 150.5 20.59 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.4 -12.62 60.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.41 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.33 -27.33 47.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.869 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.546 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 43.2 mt-10 -81.49 151.9 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.312 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' 1115 ' ' ARG . 61.4 tp -96.07 140.7 30.41 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.646 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.45 ' HG1' ' HB1' ' A' 1080 ' ' ALA . 2.3 m -106.24 122.33 46.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.644 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 21.9 p90 -152.19 165.22 35.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.221 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.547 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.86 171.66 12.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.587 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.28 116.39 3.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.31 -3.12 14.03 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.8 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.03 138.09 37.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.474 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 21.8 t -91.02 130.33 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.582 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 59.5 mt -123.44 130.49 74.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.481 HG13 ' HB2' ' A' 1110 ' ' GLU . 20.5 mt -94.61 116.61 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.4 HG22 ' HZ ' ' A' 1119 ' ' PHE . 91.8 t -69.17 117.69 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.936 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 70.4 p -112.09 -12.5 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.12 175.46 41.64 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -135.65 136.18 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.741 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -110.57 -50.45 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.66 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 38.2 t70 -143.5 -178.73 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.549 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.676 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 15.2 pt20 -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.097 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.683 ' O ' ' HA ' ' A' 1120 ' ' PRO . 29.5 mm-40 -107.97 4.21 24.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.381 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.473 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 92.7 m95 -138.81 103.85 4.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.297 0.57 . . . . 0.0 111.074 -172.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.468 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 46.1 m0 -111.36 167.36 10.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.825 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' 1117 ' ' GLY . 92.8 mt -113.44 133.77 58.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.484 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.52 -174.13 39.59 Favored Glycine 0 N--CA 1.434 -1.475 0 C-N-CA 120.149 -1.024 . . . . 0.0 111.903 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.506 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.2 p-80 -134.4 151.03 50.95 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 123.75 0.323 . . . . 0.0 110.26 -175.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.519 HD11 HG12 ' A' 1094 ' ' ILE . 27.2 mm -65.31 121.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 12.8 tt0 -68.05 128.26 35.88 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.51 -13.85 65.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.958 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -154.32 78.52 5.19 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -71.25 -2.74 11.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.287 2.658 . . . . 0.0 113.353 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -82.87 -13.32 56.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.035 0.445 . . . . 0.0 110.472 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.493 ' HB3' HD11 ' A' 1086 ' ' LEU . 80.0 mtt180 -91.47 93.52 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 170.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.506 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.1 pttm -148.75 161.34 41.97 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1117 ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 154.88 -144.15 10.76 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.414 -1.075 . . . . 0.0 110.414 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 28.8 m -94.94 141.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 117.168 0.484 . . . . 0.0 110.571 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.484 ' HE1' ' N ' ' A' 1107 ' ' GLY . 34.3 p90 -142.18 140.22 19.03 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.683 ' HA ' ' O ' ' A' 1103 ' ' GLU . 36.5 Cg_endo -68.95 126.62 14.08 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.733 2.289 . . . . 0.0 112.621 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 23.0 t -71.26 -28.18 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.224 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 4.15 7.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -112.86 -0.54 14.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.549 HG12 HG21 ' A' 1074 ' ' THR . 28.0 m -124.61 155.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.802 0.334 . . . . 0.0 111.478 -175.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.454 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.9 t60 -108.27 106.2 16.25 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.489 HG12 HG12 ' A' 1072 ' ' VAL . 38.2 mt -76.73 134.01 29.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.603 0.716 . . . . 0.0 112.223 -170.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.411 ' C ' ' H ' ' A' 1129 ' ' ASP . 0.0 OUTLIER -114.95 129.64 56.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.636 172.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 2.9 p -80.8 45.11 0.78 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.783 0.802 . . . . 0.0 109.532 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1129 ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' 1127 ' ' LEU . 36.2 t70 . . . . . 0 C--O 1.251 1.138 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.951 -174.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.672 ' HA ' ' HA ' ' A' 1128 ' ' SER . 36.6 ttm180 -72.99 110.31 7.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 110.588 -177.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.47 152.74 31.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.585 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.5 m -128.94 154.58 40.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.588 ' HZ3' ' HA2' ' A' 1091 ' ' GLY . 7.3 tmtt? -128.19 113.99 16.41 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.492 HG22 HG11 ' A' 1124 ' ' VAL . 69.0 p -61.0 133.17 55.83 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.467 -170.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.482 HG23 ' HB2' ' A' 1125 ' ' HIS . 12.7 pt -112.14 -10.37 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.444 ' CD2' HG13 ' A' 1075 ' ' ILE . 68.2 m-85 -133.41 153.32 51.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 t70 -74.13 130.05 39.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 37.9 t -119.84 112.54 19.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -97.19 96.61 8.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.675 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -68.37 145.24 54.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.995 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.53 -34.11 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.274 0.559 . . . . 0.0 109.914 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.541 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 23.8 t30 -92.3 140.81 29.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.35 -11.37 60.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 111.137 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.407 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 1.7 m-20 -88.98 -4.13 58.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.691 174.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.541 ' HG3' ' HB3' ' A' 1082 ' ' ASN . 60.3 mt-10 -94.63 153.04 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.5 tp -96.77 137.43 35.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.473 0.654 . . . . 0.0 111.309 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.403 ' OG1' ' HB1' ' A' 1080 ' ' ALA . 2.0 m -105.54 123.65 48.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.814 178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.447 ' CD1' HG21 ' A' 1074 ' ' THR . 22.9 p90 -151.82 159.69 43.8 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.432 -176.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.444 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 0.2 OUTLIER -120.46 168.78 12.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.518 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.66 116.61 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.496 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1091 ' ' GLY . . . . . 0.588 ' HA2' ' HZ3' ' A' 1073 ' ' LYS . . . 119.05 3.95 12.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.423 -0.894 . . . . 0.0 113.142 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.88 136.95 36.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.235 0.517 . . . . 0.0 110.57 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.8 t -89.75 136.44 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.868 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.554 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 55.2 mt -126.36 137.25 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.1 mt -100.73 120.55 50.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 98.1 t -69.77 113.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.561 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.427 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 66.8 p -109.0 -15.74 14.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.18 179.31 39.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.297 -0.477 . . . . 0.0 112.105 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -142.22 141.77 32.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.834 0.35 . . . . 0.0 110.764 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -110.16 -54.76 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.418 0.628 . . . . 0.0 110.087 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.46 ' CG ' ' H ' ' A' 1102 ' ' GLN . 21.2 t70 -136.9 -173.13 3.36 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.355 -175.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.46 ' H ' ' CG ' ' A' 1101 ' ' ASP . 12.5 pt20 -75.4 -23.58 57.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.172 0.511 . . . . 0.0 110.176 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.42 13.48 11.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.791 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1104 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -141.8 106.48 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.604 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.451 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.1 m0 -111.78 167.43 10.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.6 mt -117.33 136.38 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.266 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.427 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.12 -162.33 23.28 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.146 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.475 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.3 p-80 -144.05 148.95 35.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.539 HD13 HG12 ' A' 1094 ' ' ILE . 24.4 mm -62.95 125.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.77 122.93 18.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.021 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.36 -31.64 7.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.019 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -118.07 81.57 16.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 110.139 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.92 1.09 8.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.617 2.211 . . . . 0.0 113.211 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -87.48 -13.15 43.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.253 0.549 . . . . 0.0 109.728 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.505 ' HD3' HG13 ' A' 1109 ' ' ILE . 38.8 mtt180 -98.76 90.65 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.113 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.665 ' HB2' ' HZ2' ' A' 1116 ' ' LYS . 5.3 mtmp? -131.33 166.61 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.56 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 146.31 -161.22 28.32 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.856 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.9 m -86.9 140.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 31.6 p90 -138.09 134.35 17.84 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.426 178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.89 122.2 10.16 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.661 2.241 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -24.43 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.243 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.5 m -69.76 -9.35 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.78 0.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.764 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.585 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.4 m -125.29 147.02 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.132 0.491 . . . . 0.0 112.157 -173.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.482 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.2 t60 -107.48 113.84 27.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.325 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.514 HG12 HG12 ' A' 1072 ' ' VAL . 21.3 mt -81.24 138.01 20.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.271 0.558 . . . . 0.0 112.322 -168.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' 1073 ' ' LYS . 0.7 OUTLIER -106.8 -51.6 2.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.435 178.41 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1128 ' ' SER . . . . . 0.672 ' HA ' ' HA ' ' A' 1070 ' ' ARG . 4.8 t 56.02 38.49 29.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.92 0.867 . . . . 0.0 109.613 -172.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.864 -179.169 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -108.17 111.3 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 38.5 mtm180 -121.87 166.34 14.54 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.578 HG13 HD11 ' A' 1126 ' ' ILE . 35.9 m -138.95 160.96 29.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.52 ' HB2' HD23 ' A' 1127 ' ' LEU . 75.3 tttt -132.12 117.2 17.99 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.545 ' HA ' HG12 ' A' 1124 ' ' VAL . 50.3 p -63.44 132.31 50.99 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.531 -173.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 41.0 pt -115.48 -12.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -133.15 143.02 48.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.79 132.48 52.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.092 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.0 t -125.77 116.14 21.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -108.77 112.01 24.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.572 0.701 . . . . 0.0 110.127 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -61.46 124.25 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.756 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.65 -25.26 15.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.432 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 37.3 m-80 -106.55 179.7 4.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.78 -42.56 49.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -92.01 0.56 57.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.382 0.61 . . . . 0.0 111.522 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 56.6 mt-10 -79.8 139.42 37.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.8 tp -87.62 140.59 29.36 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.4 m -101.83 126.51 48.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.107 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.466 ' CD1' HG22 ' A' 1074 ' ' THR . 16.5 p90 -156.05 157.89 36.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.552 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -114.67 160.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.507 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.85 117.54 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.328 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.76 -2.52 15.19 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.987 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.08 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.999 0.428 . . . . 0.0 109.851 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 72.8 t -93.27 129.46 43.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.172 0.511 . . . . 0.0 109.809 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.523 HG12 HD13 ' A' 1109 ' ' ILE . 62.9 mt -115.05 137.84 47.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.617 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.52 HD13 ' OE2' ' A' 1110 ' ' GLU . 9.8 mt -98.08 118.13 44.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 52.8 t -69.98 111.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.386 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 60.7 p -113.85 -3.33 13.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.86 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.05 172.03 40.59 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.263 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -140.28 136.07 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.717 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.45 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.6 mm-40 -109.25 -48.87 3.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 110.757 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' 1102 ' ' GLN . 22.9 t70 -149.35 -163.94 1.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.038 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.532 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.9 tt0 -73.15 -34.13 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.407 0.622 . . . . 0.0 110.104 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.524 ' O ' ' HA ' ' A' 1120 ' ' PRO . 4.7 pt-20 -122.99 14.84 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.988 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.461 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.3 m95 -136.61 110.72 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.231 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.0 m0 -114.92 171.06 7.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.871 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.45 HG13 ' HG2' ' A' 1100 ' ' GLU . 75.1 mt -119.13 136.36 56.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.557 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.14 -179.81 45.01 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 119.989 -1.101 . . . . 0.0 111.908 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.466 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.6 p-80 -127.46 153.51 46.2 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.814 0.361 . . . . 0.0 110.681 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.523 HD13 HG12 ' A' 1094 ' ' ILE . 33.5 mm -65.62 121.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.031 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.52 ' OE2' HD13 ' A' 1095 ' ' ILE . 5.4 tp10 -65.2 122.55 17.34 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.31 68.43 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.29 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -150.36 79.66 7.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -2.47 11.51 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.099 2.532 . . . . 0.0 114.931 -168.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -77.35 -34.27 55.18 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.504 ' HB3' HD11 ' A' 1086 ' ' LEU . 49.3 mtt180 -85.81 97.25 10.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.657 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 20.9 pttp -139.76 160.11 40.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.521 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.64 -157.53 29.25 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.6 m -86.78 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 0.0 110.86 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.557 ' HE1' ' N ' ' A' 1107 ' ' GLY . 33.3 p90 -139.9 137.36 18.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.524 ' HA ' ' O ' ' A' 1103 ' ' GLU . 32.5 Cg_endo -67.49 122.91 10.18 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.833 2.355 . . . . 0.0 112.14 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 24.6 t -64.33 -28.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.29 -176.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 6.3 m -70.75 -16.99 62.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -93.52 3.39 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.382 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' 1074 ' ' THR . 32.7 m -134.23 165.11 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.074 0.464 . . . . 0.0 110.971 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.4 OUTLIER -106.82 161.84 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 167.485 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.578 HD11 HG13 ' A' 1072 ' ' VAL . 30.8 mm -97.89 142.3 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.785 0.326 . . . . 0.0 110.404 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' 1073 ' ' LYS . 2.3 mt -119.77 126.81 51.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.72 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 t -92.86 8.57 39.03 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.425 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.954 0.407 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -126.64 124.55 40.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.92 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.592 ' HG2' HG12 ' A' 1095 ' ' ILE . 73.7 mtm180 -126.34 168.17 14.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.538 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 29.3 m -137.99 161.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.615 ' HB2' HD22 ' A' 1127 ' ' LEU . 5.5 tmtt? -133.4 116.67 16.33 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.519 ' HA ' HG12 ' A' 1124 ' ' VAL . 80.4 p -64.58 129.79 41.18 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.908 -172.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.01 -3.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.043 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.424 ' HA ' ' HG2' ' A' 1090 ' ' GLU . 40.8 m-85 -138.98 156.92 46.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.422 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.17 130.47 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.252 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 12.4 t -139.99 94.83 2.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.345 0.593 . . . . 0.0 109.54 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.528 ' HA ' HG21 ' A' 1087 ' ' THR . 27.1 mt-30 -90.63 107.91 19.47 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.517 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.49 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -42.04 133.07 3.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.733 -177.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.15 -31.48 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.475 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -117.85 156.61 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.907 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.29 -20.26 66.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.354 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.427 ' O ' HG21 ' A' 1118 ' ' VAL . 7.1 m-20 -86.71 -12.64 47.72 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.997 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.49 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 70.8 mt-10 -87.81 153.72 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.538 HD21 HG12 ' A' 1109 ' ' ILE . 55.7 tp -97.72 143.03 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.288 0.566 . . . . 0.0 111.211 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.528 HG21 ' HA ' ' A' 1079 ' ' GLN . 7.4 m -101.44 121.17 41.45 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.722 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 15.4 p90 -154.47 166.27 33.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.317 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 171.91 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' 1076 ' ' TYR . 26.5 mt-10 -56.44 113.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.382 0.427 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.87 4.34 12.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.305 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.428 ' HG2' HD12 ' A' 1089 ' ' ILE . 55.3 mm-40 -90.3 139.93 30.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.08 0.467 . . . . 0.0 110.813 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.9 t -102.16 130.89 51.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.838 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.543 HG12 HD12 ' A' 1109 ' ' ILE . 57.2 mt -121.24 139.0 49.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.998 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.592 HG12 ' HG2' ' A' 1071 ' ' ARG . 9.8 mt -93.5 124.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 60.7 t -71.54 110.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.972 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.583 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 68.6 p -114.29 -1.27 13.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.397 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.59 171.76 43.84 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.629 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -143.48 135.16 26.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.114 0.457 . . . . 0.0 110.659 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -114.94 -48.0 2.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.526 0.679 . . . . 0.0 110.49 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 25.8 t70 -135.42 -172.83 3.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.898 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.443 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.5 tt0 -77.14 -34.22 56.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.538 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.5 pt-20 -113.38 16.47 18.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.6 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 88.3 m95 -141.55 104.29 4.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.501 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.503 ' O ' ' HA ' ' A' 1118 ' ' VAL . 54.5 m0 -112.56 171.3 7.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.82 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 89.0 mt -116.33 138.75 45.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.583 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -174.2 -166.06 31.71 Favored Glycine 0 N--CA 1.433 -1.532 0 C-N-CA 119.708 -1.235 . . . . 0.0 112.462 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.489 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.1 p-80 -140.41 150.46 43.91 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.854 0.385 . . . . 0.0 110.307 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.543 HD12 HG12 ' A' 1094 ' ' ILE . 21.2 mm -68.44 127.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.479 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.478 ' HG2' HG13 ' A' 1095 ' ' ILE . 3.4 mm-40 -60.03 118.55 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.283 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.88 -13.64 67.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.199 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -132.69 78.66 66.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.61 -9.24 25.53 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.948 2.432 . . . . 0.0 112.558 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -78.76 -21.28 48.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.407 0.623 . . . . 0.0 109.559 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.526 ' HB3' HD11 ' A' 1086 ' ' LEU . 10.2 mmt180 -93.67 92.19 7.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.21 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.489 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.7 mtmt -131.69 175.88 8.81 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.543 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 137.92 -163.77 25.56 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.834 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' 1105 ' ' TRP . 22.4 m -86.29 137.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.161 0.505 . . . . 0.0 110.256 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 28.1 p90 -133.13 136.92 28.29 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.21 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.515 ' HA ' ' O ' ' A' 1103 ' ' GLU . 39.7 Cg_endo -69.41 119.53 6.48 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 111.786 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.543 ' HA ' HG21 ' A' 1124 ' ' VAL . 16.1 t -68.99 -21.25 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.318 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.0 p -72.21 -8.75 56.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.808 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -107.95 6.7 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' 1121 ' ' VAL . 19.0 m -138.8 170.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.689 0.757 . . . . 0.0 112.094 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.47 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.2 OUTLIER -113.96 156.35 24.18 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.074 169.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.465 HG13 HG13 ' A' 1072 ' ' VAL . 2.9 mp -100.61 138.31 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' 1073 ' ' LYS . 7.2 mt -107.69 130.47 54.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.363 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 78.8 p -86.94 3.07 47.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.116 0.96 . . . . 0.0 108.826 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 113.898 -1.501 . . . . 0.0 109.747 -179.344 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.558 0.694 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.474 ' HD2' HG11 ' A' 1096 ' ' VAL . 40.0 ttm180 -131.69 115.1 15.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.607 ' HG2' HG12 ' A' 1095 ' ' ILE . 88.2 mtm180 -126.29 147.56 49.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.378 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 25.5 m -129.35 153.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -124.27 113.31 18.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.077 0.465 . . . . 0.0 109.76 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.513 HG21 ' CD1' ' A' 1088 ' ' PHE . 76.4 p -56.07 128.9 37.68 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.058 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.57 HD12 ' HD1' ' A' 1125 ' ' HIS . 6.7 pt -112.65 -2.49 10.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.518 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.406 ' CD2' HG13 ' A' 1075 ' ' ILE . 84.6 m-85 -136.16 138.26 41.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.879 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.42 131.33 46.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.716 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.688 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.0 t -141.13 94.95 2.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.593 0.711 . . . . 0.0 109.858 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.534 ' HA ' HG22 ' A' 1087 ' ' THR . 36.7 mt-30 -93.64 101.49 13.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.861 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -46.59 126.58 8.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.163 -177.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.69 -37.72 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.41 173.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.448 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 31.9 m-80 -94.11 159.06 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.796 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.33 -20.99 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.441 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.56 -12.4 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.625 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.515 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 46.4 mt-10 -86.03 157.6 20.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.415 HD21 HG12 ' A' 1109 ' ' ILE . 62.0 tp -96.62 143.74 27.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.134 0.493 . . . . 0.0 111.137 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' 1079 ' ' GLN . 34.8 m -103.9 124.6 49.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.809 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.688 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 21.1 p90 -157.45 164.07 37.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.119 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.551 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.48 173.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.634 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.78 -5.01 12.85 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.613 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.41 127.24 31.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.979 0.418 . . . . 0.0 110.676 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 61.6 t -88.64 122.2 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.51 HG12 HD13 ' A' 1109 ' ' ILE . 57.9 mt -113.48 129.84 68.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.809 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.607 HG12 ' HG2' ' A' 1071 ' ' ARG . 27.4 mt -91.78 117.12 34.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.474 HG11 ' HD2' ' A' 1070 ' ' ARG . 58.7 t -68.99 116.31 9.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.26 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.9 p -110.08 -8.37 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.087 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -173.45 174.33 46.03 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.358 -0.449 . . . . 0.0 112.098 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.58 137.03 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 0.0 110.27 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.451 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.9 mm-40 -105.2 -43.59 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.097 0.475 . . . . 0.0 110.412 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.7 t70 -151.13 -164.5 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.854 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.511 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.7 pt20 -77.79 -29.42 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 110.555 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.695 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.6 pt-20 -117.3 9.39 13.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.695 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.5 m95 -138.77 108.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 -176.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.445 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 48.7 m0 -113.21 165.49 12.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.068 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.451 HG13 ' HG2' ' A' 1100 ' ' GLU . 85.4 mt -114.97 136.58 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.522 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -163.72 -169.74 27.65 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.765 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.421 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.0 p-80 -135.43 151.03 50.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.51 HD13 HG12 ' A' 1094 ' ' ILE . 24.8 mm -69.23 131.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 129.8 43.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.826 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.18 2.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.605 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -121.98 90.64 48.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 122.706 -0.291 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.87 -1.16 7.24 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.447 2.098 . . . . 0.0 111.788 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -75.35 -26.04 58.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.814 0.816 . . . . 0.0 108.906 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -95.7 88.55 5.02 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.607 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.421 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.3 mtmt -121.07 173.07 7.5 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.996 173.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.73 -169.6 30.56 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.342 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' 1105 ' ' TRP . 26.9 m -86.23 142.53 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.522 ' HE1' ' N ' ' A' 1107 ' ' GLY . 21.0 p90 -142.37 135.41 14.01 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.588 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' 1103 ' ' GLU . 25.2 Cg_endo -65.74 125.62 14.6 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.673 2.249 . . . . 0.0 111.905 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 9.7 t -64.04 -25.27 37.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.385 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 2.6 p -70.36 -16.41 62.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -95.99 -1.91 48.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.568 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.555 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.5 m -122.68 147.29 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.1 0.476 . . . . 0.0 111.784 -174.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.57 ' HD1' HD12 ' A' 1075 ' ' ILE . 2.1 t60 -104.3 105.1 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.497 HG12 HG12 ' A' 1072 ' ' VAL . 20.9 mt -72.81 132.31 33.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.186 0.517 . . . . 0.0 111.419 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.58 -31.46 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.488 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 50.2 m 62.69 13.68 6.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.704 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.753 -179.011 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -68.47 118.81 12.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.25 0.548 . . . . 0.0 110.42 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.777 ' HG2' HG12 ' A' 1095 ' ' ILE . 82.0 mtm180 -127.66 170.48 12.64 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.58 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.9 m -138.8 142.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.887 0.375 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.439 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.2 tppp? -107.45 105.46 15.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.523 HG21 HG13 ' A' 1124 ' ' VAL . 72.6 p -55.76 121.01 8.23 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.408 HG23 ' HB2' ' A' 1125 ' ' HIS . 4.7 pt -103.56 -1.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -139.47 145.73 39.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.84 135.12 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.357 175.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 52.1 t -129.99 106.61 8.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.444 ' H ' ' HG3' ' A' 1079 ' ' GLN . 0.0 OUTLIER -88.11 97.52 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.837 0.827 . . . . 0.0 109.598 174.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.531 ' HB3' ' HG1' ' A' 1087 ' ' THR . . . -63.54 137.39 58.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.672 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -101.08 -44.13 5.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.215 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' 1084 ' ' ASP . 58.3 t30 -85.1 145.8 27.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.12 0.65 11.0 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.055 0.455 . . . . 0.0 111.104 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.441 ' HB3' ' ND2' ' A' 1082 ' ' ASN . 25.2 t70 -98.75 -18.87 17.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.133 175.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.512 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 49.0 mt-10 -84.17 152.17 24.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.595 HD21 HG12 ' A' 1109 ' ' ILE . 58.4 tp -96.07 142.33 28.4 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.803 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.531 ' HG1' ' HB3' ' A' 1080 ' ' ALA . 1.6 m -101.73 122.98 44.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.948 178.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 23.3 p90 -149.29 156.3 41.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.779 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.546 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -114.65 172.88 3.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.36 118.53 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.873 0.368 . . . . 0.0 110.582 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1091 ' ' GLY . . . . . 0.439 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.18 -1.1 16.83 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.67 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' 1089 ' ' ILE . 33.5 mm-40 -83.55 140.35 32.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.118 0.485 . . . . 0.0 110.451 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 17.5 t -100.7 123.13 53.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.517 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 53.3 mt -116.88 131.9 68.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.777 HG12 ' HG2' ' A' 1071 ' ' ARG . 16.7 mt -88.97 127.06 41.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 84.8 t -74.16 108.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 123.603 0.564 . . . . 0.0 110.394 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.1 p -108.39 -8.1 15.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.372 -174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.21 177.11 47.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.019 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -128.59 148.92 50.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.697 0.284 . . . . 0.0 110.576 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -121.15 -46.19 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.73 0.776 . . . . 0.0 109.772 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 24.5 t70 -143.04 -179.12 6.18 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.523 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -80.3 -15.72 56.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.151 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.709 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.5 pt-20 -118.18 10.48 12.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.634 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.709 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.9 m95 -141.3 107.56 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.904 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.458 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.9 m0 -110.41 165.88 11.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.1 mt -112.98 131.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -159.18 -168.84 21.77 Favored Glycine 0 N--CA 1.437 -1.262 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.333 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.451 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.9 OUTLIER -139.5 152.46 46.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.595 HG12 HD21 ' A' 1086 ' ' LEU . 24.1 mm -70.83 128.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.705 0.288 . . . . 0.0 110.507 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.438 ' HG2' HG13 ' A' 1095 ' ' ILE . 2.5 mm-40 -61.01 121.39 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.937 174.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.11 -15.59 62.83 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.821 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -135.52 71.11 66.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.7 -9.43 22.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.403 . . . . 0.0 111.843 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.86 -30.05 58.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.258 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -102.63 99.81 9.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.43 0.633 . . . . 0.0 110.064 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.451 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 28.1 mtmt -120.15 177.95 4.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.534 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 151.22 -168.56 30.82 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.219 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' 1105 ' ' TRP . 30.0 m -86.37 141.86 13.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 0.0 110.633 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 22.2 p90 -138.51 136.73 19.25 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.471 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.405 ' HG2' ' HB2' ' A' 1123 ' ' PHE . 29.7 Cg_endo -66.53 123.97 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.747 2.298 . . . . 0.0 111.737 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.409 ' HA ' HG22 ' A' 1124 ' ' VAL . 10.2 t -68.17 -27.47 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.321 -175.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 13.1 t -76.83 -7.51 55.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.759 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.405 ' HB2' ' HG2' ' A' 1120 ' ' PRO . 11.8 m-85 -100.73 -2.05 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.58 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 23.0 m -124.25 152.42 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 111.558 -174.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.408 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -109.7 101.75 10.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.238 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.513 HG12 HG12 ' A' 1072 ' ' VAL . 50.1 mt -63.53 142.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -170.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 7.4 mt -109.36 136.83 48.16 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.138 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.6 p -99.14 45.37 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.521 0.677 . . . . 0.0 110.256 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.282 -176.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.251 0.548 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -84.59 141.23 30.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 -176.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.532 ' HD2' HG12 ' A' 1095 ' ' ILE . 0.1 OUTLIER -121.66 163.77 18.45 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 174.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.605 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.3 m -137.71 141.95 37.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.569 ' HB2' HD22 ' A' 1127 ' ' LEU . 7.8 tmtt? -115.7 107.69 15.4 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.438 HG21 HG11 ' A' 1124 ' ' VAL . 61.9 p -56.19 130.55 44.76 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.203 -171.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.565 HG13 ' CD2' ' A' 1076 ' ' TYR . 3.5 pt -115.22 -0.07 8.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.565 ' CD2' HG13 ' A' 1075 ' ' ILE . 97.7 m-85 -139.03 157.5 45.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.864 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.77 133.51 38.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.715 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.2 t -122.22 100.49 6.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -80.72 90.94 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.87 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.703 ' HB1' HG22 ' A' 1087 ' ' THR . . . -71.02 106.55 3.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.394 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -82.07 -27.12 33.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.573 0.701 . . . . 0.0 109.355 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 28.0 t30 -96.52 137.35 35.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.958 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.73 -12.58 61.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.506 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -83.0 -16.67 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 109.741 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 88.0 mt-10 -88.36 151.97 22.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.473 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.9 tp -93.16 140.51 29.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 0.0 111.652 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.703 HG22 ' HB1' ' A' 1080 ' ' ALA . 0.0 OUTLIER -103.54 117.83 35.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.006 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.42 ' CD1' HG23 ' A' 1074 ' ' THR . 18.9 p90 -145.69 166.38 25.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.502 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.404 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.56 165.35 21.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.19 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -50.81 116.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.711 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1091 ' ' GLY . . . . . 0.532 ' HA2' ' HZ1' ' A' 1073 ' ' LYS . . . 119.17 1.99 13.9 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.636 173.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -96.51 142.34 28.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.542 0.671 . . . . 0.0 110.606 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.502 HG23 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -100.18 129.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.071 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.536 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 63.8 mt -117.86 136.96 53.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.532 HG12 ' HD2' ' A' 1071 ' ' ARG . 14.9 mt -91.97 121.53 42.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 93.9 t -69.59 109.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 123.534 0.521 . . . . 0.0 109.788 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 37.6 p -100.13 -23.58 14.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.487 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.83 174.23 32.39 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.995 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -141.69 119.1 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.15 -46.79 6.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' 1102 ' ' GLN . 17.1 t70 -145.26 -158.39 0.89 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.924 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.577 ' H ' ' CG ' ' A' 1101 ' ' ASP . 16.9 mt-30 -76.61 -45.52 29.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.381 0.61 . . . . 0.0 109.863 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -114.01 16.45 18.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.015 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.552 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 91.4 m95 -136.74 104.02 5.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.367 0.603 . . . . 0.0 110.433 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.427 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.7 m0 -116.13 169.3 9.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.175 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 97.3 mt -113.87 136.75 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.51 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -173.61 178.6 45.45 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.503 -178.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.516 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 1.4 p-80 -130.77 151.79 50.82 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.739 0.317 . . . . 0.0 111.12 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.521 HD12 HG12 ' A' 1094 ' ' ILE . 26.5 mm -68.69 130.03 33.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.97 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.422 ' HA ' ' OE1' ' A' 1110 ' ' GLU . 1.7 mm-40 -61.6 118.36 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.038 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.22 -18.14 57.46 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.765 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.424 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 5.8 tp60 -126.4 72.43 72.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.49 -25.62 48.01 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.191 2.594 . . . . 0.0 113.991 -167.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -72.75 -27.33 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -79.17 86.28 4.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.274 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.516 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.7 pttp -144.91 172.78 12.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 147.54 -156.07 26.79 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.0 m -87.31 139.7 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 117.237 0.519 . . . . 0.0 110.851 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.543 ' CE2' HG23 ' A' 1072 ' ' VAL . 36.7 p90 -139.38 139.82 23.87 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.36 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.8 Cg_endo -68.93 121.76 8.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.769 2.313 . . . . 0.0 112.133 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.503 ' HA ' HG21 ' A' 1124 ' ' VAL . 21.2 t -68.75 -21.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.074 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.2 p -72.61 -11.6 60.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.476 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 8.8 m-85 -103.06 -0.42 30.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.661 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.605 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 32.7 m -124.19 151.93 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.406 0.622 . . . . 0.0 112.195 -173.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HG22 ' A' 1075 ' ' ILE . 4.2 t60 -106.23 102.53 11.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.512 HG12 HG12 ' A' 1072 ' ' VAL . 58.1 mt -68.06 141.34 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.569 HD22 ' HB2' ' A' 1073 ' ' LYS . 10.7 mt -108.27 110.98 22.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.111 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.5 p -100.97 35.55 2.18 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.987 -175.053 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.414 0.149 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -169.13 136.34 1.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.771 0.32 . . . . 0.0 110.534 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.637 ' HG2' HG12 ' A' 1095 ' ' ILE . 60.0 mtm180 -124.23 168.92 12.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.2 m -141.07 145.34 25.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.548 ' HB2' HD21 ' A' 1127 ' ' LEU . 9.2 tmtt? -116.08 108.46 16.22 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.506 HG22 HG12 ' A' 1124 ' ' VAL . 65.3 p -57.39 132.2 52.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.136 -172.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 5.9 pt -115.11 -1.54 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -140.82 145.87 36.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.27 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.25 133.84 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.352 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.9 t -128.83 94.18 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.027 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.93 88.64 7.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.598 0.713 . . . . 0.0 109.682 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -63.46 129.05 38.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.715 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -90.63 -46.21 8.42 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.469 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -82.81 135.17 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.02 -22.0 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.816 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.44 -12.59 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.342 0.591 . . . . 0.0 110.334 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.481 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 50.7 mt-10 -88.23 147.17 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.64 HD21 HG12 ' A' 1109 ' ' ILE . 58.6 tp -89.54 138.58 31.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.37 0.605 . . . . 0.0 110.944 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.4 ' HG1' ' HB1' ' A' 1080 ' ' ALA . 0.2 OUTLIER -97.78 124.17 42.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.484 177.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.442 ' CD1' HG21 ' A' 1074 ' ' THR . 24.7 p90 -156.01 166.09 34.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.57 169.98 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.296 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -56.4 116.14 2.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.385 0.428 . . . . 0.0 111.011 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1091 ' ' GLY . . . . . 0.41 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 118.75 -0.79 15.47 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.072 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.405 ' HG2' HD12 ' A' 1089 ' ' ILE . 59.6 mm-40 -89.88 143.08 27.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.003 0.43 . . . . 0.0 110.255 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.496 HG21 ' HG2' ' A' 1073 ' ' LYS . 74.3 t -105.59 128.22 59.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.544 0.688 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.522 HG12 HD13 ' A' 1109 ' ' ILE . 58.9 mt -116.67 137.4 50.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 114.887 -1.052 . . . . 0.0 109.799 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.637 HG12 ' HG2' ' A' 1071 ' ' ARG . 25.3 mt -93.92 118.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 61.8 t -69.62 110.22 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.936 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.424 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 43.8 p -104.09 -15.96 15.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.535 -176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.79 175.81 39.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.898 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -134.75 146.22 49.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -114.4 -41.11 3.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.516 0.674 . . . . 0.0 109.691 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -148.99 -163.84 1.88 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.312 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -81.65 -30.15 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.654 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -113.68 12.84 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.654 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.6 m95 -140.04 106.5 5.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.466 ' O ' ' HA ' ' A' 1118 ' ' VAL . 53.7 m0 -112.64 166.63 11.16 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 88.8 mt -116.97 135.84 56.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.48 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -167.74 -169.93 31.88 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 119.868 -1.158 . . . . 0.0 112.338 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.554 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.9 p-80 -134.5 149.2 50.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.282 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.64 HG12 HD21 ' A' 1086 ' ' LEU . 20.9 mm -70.73 128.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.416 ' CG ' HG13 ' A' 1095 ' ' ILE . 16.4 mt-10 -65.15 134.27 53.36 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.42 -20.71 48.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.416 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -145.32 86.98 7.25 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 121.064 0.459 . . . . 0.0 109.837 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 -9.3 25.0 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 123.03 2.487 . . . . 0.0 113.508 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.65 -23.69 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.387 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.48 ' HB3' HD13 ' A' 1086 ' ' LEU . 37.5 mtt180 -85.07 91.38 8.09 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.901 0.381 . . . . 0.0 110.214 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.554 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.9 mtmm -128.98 170.13 13.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.169 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.57 29.65 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.967 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' 1105 ' ' TRP . 20.2 m -84.36 142.89 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.932 0.396 . . . . 0.0 110.636 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.48 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.1 p90 -141.06 133.12 13.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.771 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.74 124.0 12.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.875 2.383 . . . . 0.0 111.973 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.458 ' HA ' HG23 ' A' 1124 ' ' VAL . 24.4 t -65.59 -25.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.116 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 40.4 t -72.28 -9.31 58.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.783 0.325 . . . . 0.0 110.753 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.67 -3.35 28.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.189 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.593 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.8 m -124.63 162.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 111.303 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.68 107.56 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.524 HG13 HG13 ' A' 1072 ' ' VAL . 3.7 mp -65.45 139.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' 1073 ' ' LYS . 12.4 mt -108.95 125.0 51.57 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.862 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.8 t -87.66 15.85 6.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.412 0.625 . . . . 0.0 109.886 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.851 -179.528 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1069 ' ' VAL . . . . . 0.523 ' HB ' ' O ' ' A' 1129 ' ' ASP . 19.3 m . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.577 HH11 HG11 ' A' 1096 ' ' VAL . 33.4 ttm180 -169.41 111.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.204 0.526 . . . . 0.0 110.98 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.418 ' CB ' HD11 ' A' 1127 ' ' LEU . 0.0 OUTLIER -113.72 155.87 24.81 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.108 173.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.8 m -132.04 137.92 53.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.355 173.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.535 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.3 tppp? -103.61 105.98 16.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.505 HG22 HG13 ' A' 1124 ' ' VAL . 71.4 p -55.1 128.9 35.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.537 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.524 HG13 ' CD2' ' A' 1076 ' ' TYR . 12.8 pt -112.68 0.99 8.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.524 ' CD2' HG13 ' A' 1075 ' ' ILE . 87.9 m-85 -137.01 146.84 45.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.096 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.482 ' HB2' ' OE1' ' A' 1090 ' ' GLU . 16.4 t70 -76.85 129.63 36.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.719 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 29.2 t -126.09 105.81 9.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.8 0.333 . . . . 0.0 110.423 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -89.41 88.59 7.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.888 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.513 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -60.72 146.59 45.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.639 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.51 -35.27 4.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.406 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 43.6 t30 -92.11 141.77 28.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.59 -21.58 64.46 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.595 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -75.23 -26.7 59.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.667 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 51.3 mt-10 -79.34 143.91 34.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.936 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.565 HD13 ' HB3' ' A' 1115 ' ' ARG . 57.4 tp -91.71 141.47 28.65 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.439 ' OG1' ' HB2' ' A' 1080 ' ' ALA . 39.1 m -104.4 128.28 52.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 19.8 p90 -150.85 163.26 39.08 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.402 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.765 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.38 163.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.301 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' 1077 ' ' ASP . 1.0 OUTLIER -63.79 108.68 1.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 -177.576 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1091 ' ' GLY . . . . . 0.535 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.54 8.86 9.72 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.743 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.452 ' CG ' HD11 ' A' 1109 ' ' ILE . 4.5 tp10 -98.39 134.63 41.11 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 34.2 t -89.39 128.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.97 0.415 . . . . 0.0 110.553 -176.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.547 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 60.4 mt -110.75 130.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.42 HD13 ' OE2' ' A' 1110 ' ' GLU . 12.6 mt -94.79 116.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.577 HG11 HH11 ' A' 1070 ' ' ARG . 47.2 t -73.62 116.59 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.453 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.4 p -110.98 -6.09 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.407 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -177.92 178.17 48.44 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.45 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.95 157.89 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.267 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.565 ' HG2' HG13 ' A' 1106 ' ' ILE . 5.9 mm-40 -121.86 -55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.582 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -142.45 -161.34 1.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.369 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -77.7 -27.96 50.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.049 0.452 . . . . 0.0 110.35 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.675 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.3 pt-20 -121.52 10.61 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.047 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.675 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.3 m95 -137.09 115.26 11.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.48 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.511 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 47.3 m0 -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.565 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.5 mt -114.57 140.39 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.453 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -173.82 -154.62 10.88 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.896 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.418 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.5 p-80 -148.7 154.31 39.45 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.513 HD12 HG12 ' A' 1094 ' ' ILE . 21.5 mm -72.91 129.73 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 174.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.42 ' OE2' HD13 ' A' 1095 ' ' ILE . 7.3 tp10 -75.28 140.42 43.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.85 -38.93 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.475 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -138.73 79.09 29.39 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.67 14.04 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.235 2.623 . . . . 0.0 113.432 -172.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.73 -19.69 28.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.397 0.618 . . . . 0.0 109.471 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.565 ' HB3' HD13 ' A' 1086 ' ' LEU . 63.8 mtt-85 -85.98 92.46 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.377 173.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.418 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.6 mtmm -125.88 170.25 11.84 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.905 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 140.57 -153.67 23.74 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.648 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' 1105 ' ' TRP . 28.1 m -93.74 141.9 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.954 0.407 . . . . 0.0 110.73 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.432 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.9 p90 -136.9 136.84 21.81 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.6 Cg_endo -68.05 122.3 9.38 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.969 2.446 . . . . 0.0 112.12 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.9 t -62.59 -28.13 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.638 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.2 m -70.47 -13.01 61.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.736 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -100.42 0.58 40.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.735 0.303 . . . . 0.0 111.401 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 25.2 m -124.93 154.33 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.204 0.526 . . . . 0.0 111.825 -174.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.441 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -111.7 104.09 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.494 HG12 HG12 ' A' 1072 ' ' VAL . 21.7 mt -73.1 138.7 20.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.04 0.447 . . . . 0.0 111.568 -170.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.418 HD11 ' CB ' ' A' 1071 ' ' ARG . 11.9 mt -95.02 -25.31 16.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.01 -177.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 61.08 21.34 11.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.099 -171.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1129 ' ' ASP . . . . . 0.523 ' O ' ' HB ' ' A' 1069 ' ' VAL . 25.1 t70 . . . . . 0 C--O 1.245 0.843 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.448 -175.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.37 141.56 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.362 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.416 ' HG2' HG12 ' A' 1095 ' ' ILE . 85.8 mtm180 -124.99 160.04 29.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.597 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.3 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.543 ' HB2' HD22 ' A' 1127 ' ' LEU . 7.9 tmtt? -125.48 108.07 11.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.513 HG21 HG11 ' A' 1124 ' ' VAL . 64.4 p -57.12 134.39 55.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.672 -170.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.442 HG22 ' HB2' ' A' 1125 ' ' HIS . 6.1 pt -115.62 0.64 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.346 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.441 ' CD2' HG13 ' A' 1075 ' ' ILE . 75.8 m-85 -140.65 151.27 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.291 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.441 ' OD1' HG22 ' A' 1089 ' ' ILE . 20.4 t70 -77.7 133.67 38.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.69 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 40.6 t -124.28 120.32 31.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -107.93 98.61 8.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -64.42 136.96 57.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -107.31 -25.38 11.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.499 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 27.1 m-80 -105.97 146.92 29.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.426 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.36 -13.48 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.542 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' 1118 ' ' VAL . 34.0 m-20 -89.51 -7.21 55.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 46.5 mt-10 -95.4 162.31 13.71 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 65.7 tp -107.89 144.8 34.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 45.5 m -106.76 128.1 53.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.788 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.476 ' CD1' HG23 ' A' 1074 ' ' THR . 24.1 p90 -158.69 158.89 34.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.596 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.05 171.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.57 114.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.242 0.339 . . . . 0.0 110.2 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.82 4.73 12.63 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.128 -1.034 . . . . 0.0 113.0 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' 1089 ' ' ILE . 6.4 mm-40 -89.18 127.08 35.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 48.9 t -87.49 124.72 41.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.524 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 54.3 mt -117.28 131.37 70.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.416 HG12 ' HG2' ' A' 1071 ' ' ARG . 39.7 mt -95.8 118.6 42.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 42.4 t -69.6 106.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 123.943 0.777 . . . . 0.0 110.282 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 44.1 p -97.61 -17.52 19.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.64 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.63 171.58 35.38 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.019 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -137.3 125.17 22.61 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -98.32 -52.93 3.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.361 0.6 . . . . 0.0 110.839 -177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.72 -166.24 2.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.08 -172.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.73 -33.48 66.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.602 0.715 . . . . 0.0 109.966 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.71 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -120.34 9.94 11.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.999 -172.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.71 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.9 m95 -137.38 107.3 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.771 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.1 m0 -110.69 163.99 13.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 82.2 mt -113.83 134.42 56.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.502 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -160.96 -171.0 26.34 Favored Glycine 0 N--CA 1.434 -1.439 0 C-N-CA 119.834 -1.174 . . . . 0.0 112.232 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.512 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.4 p-80 -136.41 152.11 50.25 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.505 HD11 HG12 ' A' 1094 ' ' ILE . 29.7 mm -71.27 131.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.69 131.41 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.728 178.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.22 -39.6 2.83 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.155 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.1 tp60 -127.64 92.03 43.95 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 110.708 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.15 4.13 6.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 123.214 2.609 . . . . 0.0 112.27 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.55 -16.5 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 0.0 110.207 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.421 ' NH1' HG13 ' A' 1109 ' ' ILE . 10.2 ttm180 -99.19 92.46 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.512 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 30.8 mtmm -126.85 176.43 7.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.358 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.83 -166.21 29.28 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.994 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.1 m -88.1 143.33 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.47 . . . . 0.0 110.431 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.502 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.3 p90 -140.85 134.82 15.06 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.527 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' 1103 ' ' GLU . 19.8 Cg_endo -64.37 124.82 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.64 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 16.2 t -61.58 -28.74 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.806 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 m -75.75 7.86 3.49 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.95 -2.2 14.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.597 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.2 m -124.69 151.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.252 0.548 . . . . 0.0 112.111 -172.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.442 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.8 t60 -103.88 101.4 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.824 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.522 HG12 HG12 ' A' 1072 ' ' VAL . 65.6 mt -66.76 139.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -170.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' 1073 ' ' LYS . 1.0 OUTLIER -106.65 112.36 25.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.348 172.314 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 66.1 m -84.79 22.64 1.31 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.245 0.853 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.821 174.312 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.471 ' HD2' HG23 ' A' 1096 ' ' VAL . 4.3 ttm180 -132.77 124.64 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.899 0.381 . . . . 0.0 110.382 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -126.94 158.05 37.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.578 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 33.8 m -133.17 146.15 32.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.812 0.339 . . . . 0.0 110.389 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.517 ' HB2' HD23 ' A' 1127 ' ' LEU . 17.1 tptp -110.58 100.8 9.53 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.54 HG21 HG13 ' A' 1124 ' ' VAL . 74.5 p -53.87 124.85 16.55 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.374 0.607 . . . . 0.0 111.8 -174.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.435 HG13 ' CD1' ' A' 1076 ' ' TYR . 2.1 pt -108.09 1.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.134 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' 1123 ' ' PHE . 74.8 m-85 -133.97 152.93 52.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.079 177.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.44 130.37 35.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.253 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.9 t -131.08 117.51 19.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.789 0.328 . . . . 0.0 110.387 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.535 ' HA ' HG21 ' A' 1087 ' ' THR . 11.2 pt20 -109.84 99.11 8.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.441 0.638 . . . . 0.0 110.15 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -63.45 141.8 58.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.996 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.12 -33.99 12.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.423 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -108.49 150.24 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.385 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.44 -8.26 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.091 0.472 . . . . 0.0 110.848 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.405 ' O ' HG21 ' A' 1118 ' ' VAL . 19.5 m-20 -71.47 -21.34 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.558 0.694 . . . . 0.0 109.15 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 28.7 mt-10 -102.94 163.17 12.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.298 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.41 HD23 HD12 ' A' 1094 ' ' ILE . 63.0 tp -109.73 143.96 38.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.367 0.604 . . . . 0.0 111.952 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.535 HG21 ' HA ' ' A' 1079 ' ' GLN . 90.9 m -106.34 131.43 53.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.906 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.4 p90 -161.5 162.4 30.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.895 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.49 167.64 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.85 118.32 4.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.756 0.312 . . . . 0.0 110.425 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.61 -4.43 13.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.024 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.45 ' HG2' HD12 ' A' 1089 ' ' ILE . 8.7 mm-40 -78.82 138.33 38.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.856 0.36 . . . . 0.0 110.625 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 39.2 t -91.79 126.89 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.578 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 48.2 mt -119.79 129.08 75.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 26.5 mt -93.12 120.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.471 HG23 ' HD2' ' A' 1070 ' ' ARG . 93.7 t -69.28 111.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.424 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 74.9 p -108.51 -17.54 13.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.575 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.03 176.82 37.59 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.836 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -146.38 131.74 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -106.18 -48.37 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.495 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 22.1 t70 -136.49 -173.53 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.291 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.525 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 17.7 pt20 -70.65 -33.14 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.246 -177.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.525 ' HG2' ' HG3' ' A' 1102 ' ' GLN . 3.3 pt-20 -124.54 20.45 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.526 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.495 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 91.2 m95 -137.73 104.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.389 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.52 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.5 m0 -113.21 167.28 10.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.242 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.44 136.89 49.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -164.89 -166.73 24.33 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 119.705 -1.236 . . . . 0.0 112.439 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.457 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.8 p-80 -140.03 150.4 44.35 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.546 HD11 HG12 ' A' 1094 ' ' ILE . 28.0 mm -69.8 126.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.089 0.471 . . . . 0.0 110.216 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.528 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 14.9 tt0 -72.86 123.34 23.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.27 -11.49 68.96 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.665 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.97 72.5 8.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -13.47 40.06 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.236 2.624 . . . . 0.0 113.216 -172.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.27 -6.18 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.466 ' NH1' HG13 ' A' 1109 ' ' ILE . 13.1 ttm180 -106.41 95.37 5.71 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.617 ' HB2' ' HZ3' ' A' 1116 ' ' LYS . 7.5 mtmp? -121.66 177.19 5.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.797 0.332 . . . . 0.0 110.771 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.59 -169.37 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.078 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.8 m -85.14 142.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.227 0.537 . . . . 0.0 110.784 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.464 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.7 p90 -137.53 134.78 18.63 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.07 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.25 124.23 12.65 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.57 2.18 . . . . 0.0 111.387 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.456 HG21 ' C ' ' A' 1103 ' ' GLU . 12.3 t -67.42 -25.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.331 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 11.7 p -74.43 -7.93 54.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.777 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.587 ' HA ' ' CD1' ' A' 1076 ' ' TYR . 4.9 m-85 -103.7 1.27 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.021 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.5 m -128.33 158.27 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.9 t60 -118.34 102.61 9.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.509 HG12 HG11 ' A' 1072 ' ' VAL . 33.2 mt -66.97 143.39 15.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -169.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.517 HD23 ' HB2' ' A' 1073 ' ' LYS . 4.2 mt -109.5 120.22 41.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.051 176.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 9.5 p -90.2 12.85 16.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.462 0.649 . . . . 0.0 110.614 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.652 -179.153 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.56 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 ptp180 -64.22 141.88 58.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.196 0.522 . . . . 0.0 110.732 -176.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -124.61 173.59 8.4 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.603 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 27.9 m -140.78 153.91 21.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.952 0.406 . . . . 0.0 110.092 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.4 ' HE2' HG21 ' A' 1093 ' ' VAL . 12.0 tppt? -113.61 113.87 25.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.477 HG21 HG12 ' A' 1124 ' ' VAL . 81.0 p -62.57 114.23 3.44 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 26.4 pt -95.99 -12.27 8.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.352 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' 1123 ' ' PHE . 42.0 m-85 -130.88 158.54 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.427 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 6.4 p-10 -91.99 134.29 34.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 0.0 110.094 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.7 t -121.91 112.72 18.65 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.886 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.79 97.18 10.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.443 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' 1085 ' ' GLU . . . -52.83 129.98 31.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.228 -178.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -95.95 -34.35 11.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.54 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.636 ' HB3' ' HB2' ' A' 1085 ' ' GLU . 48.3 t-20 -92.94 147.25 22.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.89 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.63 -21.68 61.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.209 0.528 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.28 3.42 54.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.852 0.834 . . . . 0.0 109.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.636 ' HB2' ' HB3' ' A' 1082 ' ' ASN . 20.0 tt0 -101.28 167.62 10.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.599 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' 1115 ' ' ARG . 50.4 tp -112.38 140.62 46.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.356 0.598 . . . . 0.0 112.269 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.7 m -103.2 126.05 50.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.58 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.402 ' CD1' HG23 ' A' 1074 ' ' THR . 25.6 p90 -157.84 166.12 33.51 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.035 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.524 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.65 168.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.427 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 2.9 mp0 -56.6 119.33 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.38 -2.92 13.99 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.821 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.45 142.84 28.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.994 0.425 . . . . 0.0 110.684 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.4 HG21 ' HE2' ' A' 1073 ' ' LYS . 47.3 t -99.2 125.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.52 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 64.0 mt -113.11 133.27 59.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.498 HD13 ' CD ' ' A' 1110 ' ' GLU . 8.4 mt -93.18 117.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.56 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 60.5 t -70.28 110.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.571 -177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 45.0 p -111.05 -1.25 16.35 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.916 -175.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.65 165.6 38.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.579 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -136.13 120.67 18.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.933 0.397 . . . . 0.0 110.272 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.413 ' HG2' HG13 ' A' 1106 ' ' ILE . 17.7 mm-40 -95.03 -48.03 6.14 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.421 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.3 t70 -138.58 -165.04 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.236 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.478 ' H ' ' CG ' ' A' 1101 ' ' ASP . 37.0 mt-30 -80.67 -33.35 35.62 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.343 0.592 . . . . 0.0 109.547 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.571 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -115.98 11.52 15.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.803 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.571 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.8 m95 -135.35 110.76 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.715 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.411 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.4 m0 -116.48 167.21 11.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.1 mt -114.1 135.06 55.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.8 -178.01 41.14 Favored Glycine 0 N--CA 1.437 -1.272 0 C-N-CA 119.826 -1.178 . . . . 0.0 112.402 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.527 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.3 p-80 -133.39 148.71 51.83 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.483 -0.359 . . . . 0.0 110.548 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.505 HD11 HG12 ' A' 1094 ' ' ILE . 25.6 mm -62.07 124.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.498 ' CD ' HD13 ' A' 1095 ' ' ILE . 4.6 tp10 -61.51 127.42 31.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.279 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.37 -21.28 45.19 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.683 -176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.7 tp60 -141.75 88.08 9.74 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.19 -4.94 14.66 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.956 2.438 . . . . 0.0 112.565 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -67.14 -31.21 71.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.535 0.683 . . . . 0.0 109.332 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.573 ' HB3' HD12 ' A' 1086 ' ' LEU . 85.6 mtt180 -98.74 97.2 8.47 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.591 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.527 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 48.5 pttt -148.27 162.37 39.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.099 0.476 . . . . 0.0 112.237 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.38 -154.06 25.24 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.809 -176.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.6 m -88.48 142.4 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 117.218 0.509 . . . . 0.0 111.209 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.477 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.2 p90 -142.14 135.89 14.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.2 Cg_endo -67.82 123.25 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.79 2.326 . . . . 0.0 111.984 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.49 ' HA ' HG22 ' A' 1124 ' ' VAL . 19.6 t -65.27 -21.62 29.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.916 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 21.9 t -68.98 -10.57 58.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.691 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.43 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.4 m-85 -106.56 0.43 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.661 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.603 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.7 m -136.01 152.1 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.998 0.427 . . . . 0.0 112.012 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.58 119.78 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.53 HG13 HG12 ' A' 1072 ' ' VAL . 5.2 mp -72.93 132.51 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.349 0.595 . . . . 0.0 111.861 -172.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.4 mt -104.03 141.24 36.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.102 -0.953 . . . . 0.0 108.632 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 50.7 p -95.62 16.91 15.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.251 0.548 . . . . 0.0 110.758 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.469 178.444 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 121.605 0.716 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.506 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 9.7 tpt180 -77.5 98.13 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.574 -177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' 1071 ' ' ARG . 44.0 mtt85 -120.07 154.51 34.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 36.0 m -137.21 162.83 33.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.504 ' HG3' HG23 ' A' 1093 ' ' VAL . 74.0 tttt -138.47 118.35 13.28 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.469 HG23 ' CG ' ' A' 1088 ' ' PHE . 60.0 p -57.74 119.39 6.56 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.956 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 3.5 pt -104.94 -3.64 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.244 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -138.57 151.25 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.052 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.33 129.99 36.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 46.7 t -126.47 123.69 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.488 . . . . 0.0 110.061 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -105.57 99.36 8.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.062 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -62.68 112.62 2.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.458 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.382 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.41 ' ND2' ' HB2' ' A' 1084 ' ' ASP . 33.0 t30 -107.18 145.86 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.539 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.28 -12.37 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 111.424 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.41 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 8.1 m-20 -75.28 -21.74 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.395 0.617 . . . . 0.0 109.47 173.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 65.8 mt-10 -87.1 155.13 20.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.423 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' 1115 ' ' ARG . 59.0 tp -95.01 142.61 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.093 0.473 . . . . 0.0 110.81 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.4 m -107.23 123.87 48.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.486 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.469 ' CG ' HG23 ' A' 1074 ' ' THR . 12.5 p90 -150.15 158.37 44.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -177.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.522 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.01 165.92 12.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.85 115.04 1.96 Allowed 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.238 0.336 . . . . 0.0 110.921 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.14 6.04 11.19 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.372 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -95.51 130.83 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.231 0.515 . . . . 0.0 109.63 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.504 HG23 ' HG3' ' A' 1073 ' ' LYS . 99.2 t -89.92 132.98 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.564 HG12 HD11 ' A' 1109 ' ' ILE . 51.7 mt -117.79 132.33 67.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.727 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.408 HG13 ' HG2' ' A' 1110 ' ' GLU . 25.6 mt -93.34 118.15 38.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.506 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 42.7 t -70.91 109.4 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.089 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 66.9 p -97.07 -5.57 37.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.108 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -174.24 167.63 40.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.894 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' 1105 ' ' TRP . 42.4 mt-10 -137.08 117.62 13.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.184 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.39 -54.43 3.92 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.446 0.641 . . . . 0.0 110.242 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 7.2 t70 -129.35 -166.15 1.61 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.441 -173.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -78.44 -36.53 45.39 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.274 0.559 . . . . 0.0 109.795 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.0 pt-20 -115.46 13.57 16.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.848 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.58 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 96.6 m95 -138.03 104.49 5.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.43 0.633 . . . . 0.0 111.052 -176.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.533 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.1 m0 -113.42 168.43 9.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.416 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.3 mt -118.97 137.16 53.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.31 -168.37 33.64 Favored Glycine 0 N--CA 1.437 -1.285 0 C-N-CA 119.817 -1.183 . . . . 0.0 112.419 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.408 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -135.68 152.66 51.4 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 124.027 0.486 . . . . 0.0 109.965 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.564 HD11 HG12 ' A' 1094 ' ' ILE . 24.5 mm -74.52 133.83 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.408 ' HG2' HG13 ' A' 1095 ' ' ILE . 7.7 mm-40 -68.97 135.3 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.582 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 81.17 -17.65 12.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.631 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.42 HE21 ' HD2' ' A' 1115 ' ' ARG . 12.0 mt-30 -136.0 67.67 63.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.35 -5.79 15.88 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.968 2.445 . . . . 0.0 112.308 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.84 -10.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.992 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.547 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.9 mtt180 -99.98 96.39 7.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.861 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.408 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.9 mtmt -128.28 177.23 7.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.551 175.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 139.97 -165.3 25.97 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.906 173.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' 1105 ' ' TRP . 29.8 m -88.56 136.88 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 0.0 110.33 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.475 ' HE1' ' N ' ' A' 1107 ' ' GLY . 26.4 p90 -134.66 139.52 32.72 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.476 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.3 Cg_endo -69.64 122.81 9.52 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.586 2.19 . . . . 0.0 111.993 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.438 ' HA ' HG23 ' A' 1124 ' ' VAL . 38.3 t -64.34 -24.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.485 -175.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 -5.7 28.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.603 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -111.9 2.78 17.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.395 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.7 m -125.75 150.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.485 0.66 . . . . 0.0 112.292 -173.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -108.0 111.55 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.236 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.491 HG12 HG11 ' A' 1072 ' ' VAL . 45.7 mt -70.75 144.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.72 89.24 3.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.69 42.0 1.05 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.467 0.651 . . . . 0.0 110.105 174.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.777 -178.282 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.595 0.712 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -86.71 149.48 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.553 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.553 ' HG3' HG12 ' A' 1095 ' ' ILE . 5.9 mpt_? -119.83 154.62 34.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.464 . . . . 0.0 109.948 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.607 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -133.36 138.34 51.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.513 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.6 tmtt? -111.08 106.21 15.19 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.521 HG22 ' CD1' ' A' 1088 ' ' PHE . 69.6 p -56.69 126.25 25.95 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.908 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.457 HG22 ' HB2' ' A' 1125 ' ' HIS . 8.7 pt -111.87 1.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.227 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -137.77 140.12 40.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.833 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.23 134.35 37.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.188 0.518 . . . . 0.0 109.894 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 35.7 t -120.02 94.13 4.29 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.763 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -84.55 88.34 7.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.94 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -55.78 129.63 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.187 -174.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.42 -28.79 20.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.481 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -103.76 142.63 34.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.531 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.06 -17.75 63.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.85 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.89 -29.36 62.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.026 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 48.0 mt-10 -79.05 147.59 32.77 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.703 177.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.8 142.79 31.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.577 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.5 m -106.99 124.18 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.57 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.521 ' CD1' HG22 ' A' 1074 ' ' THR . 25.6 p90 -155.09 161.83 41.18 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 -178.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.03 171.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.604 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.09 118.98 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.91 -4.26 14.3 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.253 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.74 129.55 34.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 110.27 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.6 t -92.66 118.28 37.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.532 HG12 HD13 ' A' 1109 ' ' ILE . 42.3 mt -108.54 132.28 56.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.653 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.553 HG12 ' HG3' ' A' 1071 ' ' ARG . 19.8 mt -95.02 120.44 44.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.828 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 80.6 t -69.34 110.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.574 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 80.1 p -106.6 -15.76 14.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.365 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -155.92 174.12 33.88 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.709 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.99 133.16 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.839 0.319 . . . . 0.0 110.637 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.45 -45.24 4.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.267 0.556 . . . . 0.0 109.948 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' A' 1102 ' ' GLN . 16.5 t70 -147.86 -171.11 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.427 ' H ' ' CG ' ' A' 1101 ' ' ASP . 8.7 pt20 -80.9 -18.26 47.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.502 0.592 . . . . 0.0 110.008 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.658 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.9 pt-20 -116.51 9.78 14.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.044 0.45 . . . . 0.0 110.328 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.658 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.7 m95 -141.04 104.56 4.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.31 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 51.5 m0 -112.51 164.35 13.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.814 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.14 136.67 51.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.456 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -166.79 -165.3 23.95 Favored Glycine 0 N--CA 1.437 -1.254 0 C-N-CA 119.443 -1.361 . . . . 0.0 112.413 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.435 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -138.78 151.96 47.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -177.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.532 HD13 HG12 ' A' 1094 ' ' ILE . 36.3 mm -75.38 127.6 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.12 128.87 38.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.5 -22.14 40.57 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.206 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -141.56 75.31 22.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.3 11.72 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.079 2.519 . . . . 0.0 113.218 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -92.27 -26.8 17.97 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -84.77 87.93 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.435 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 31.3 mtmt -122.44 177.53 5.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.212 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 145.51 -161.52 28.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.292 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 16.3 m -90.16 138.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 110.352 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 32.4 p90 -138.8 134.77 17.27 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.563 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' 1103 ' ' GLU . 22.0 Cg_endo -65.95 122.13 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.508 2.139 . . . . 0.0 111.965 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.67 -21.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.968 -175.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.6 m -72.56 -2.6 20.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.42 -0.35 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.754 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.607 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.1 m -122.72 147.61 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.413 0.625 . . . . 0.0 112.085 -172.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.457 ' HB2' HG22 ' A' 1075 ' ' ILE . 2.8 t60 -98.21 100.75 12.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.027 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.485 HG12 HG12 ' A' 1072 ' ' VAL . 52.6 mt -72.88 144.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.109 0.481 . . . . 0.0 112.042 -169.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' 1071 ' ' ARG . 3.2 mt -105.85 122.59 46.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 11.3 p -86.4 14.55 6.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.708 0.766 . . . . 0.0 109.949 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.193 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.7 0.286 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.518 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 40.0 ttm180 -123.66 113.48 18.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.308 0.575 . . . . 0.0 111.47 -176.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.06 168.14 11.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 174.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -139.08 162.41 27.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.482 ' HB2' HD21 ' A' 1127 ' ' LEU . 76.1 tttt -138.64 115.43 10.73 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.52 HG21 ' CD1' ' A' 1088 ' ' PHE . 70.1 p -59.42 124.75 21.05 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.088 -171.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' 1125 ' ' HIS . 15.8 pt -105.2 -1.15 9.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.282 0.563 . . . . 0.0 110.106 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.439 ' CD2' HG13 ' A' 1075 ' ' ILE . 86.8 m-85 -139.79 158.73 43.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.407 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 5.9 p-10 -90.39 140.25 29.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.302 0.573 . . . . 0.0 110.343 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 31.2 t -125.08 116.9 22.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.581 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.487 ' HA ' HG23 ' A' 1087 ' ' THR . 97.3 mt-30 -100.2 94.06 6.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.89 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -64.56 116.85 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.488 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -94.76 1.46 55.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.699 . . . . 0.0 109.664 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.63 ' HB3' ' HG2' ' A' 1085 ' ' GLU . 18.7 t30 -130.17 134.41 47.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -13.52 62.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.886 0.374 . . . . 0.0 111.644 -171.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.52 -17.61 47.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.63 ' HG2' ' HB3' ' A' 1082 ' ' ASN . 6.6 mm-40 -81.43 -169.66 2.4 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.561 HD22 HG12 ' A' 1109 ' ' ILE . 58.5 tp -130.75 141.07 50.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.99 0.424 . . . . 0.0 111.254 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.487 HG23 ' HA ' ' A' 1079 ' ' GLN . 5.5 m -103.48 123.43 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.811 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.52 ' CD1' HG21 ' A' 1074 ' ' THR . 15.2 p90 -153.61 165.55 35.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.26 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.508 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.0 167.78 16.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 1.5 mp0 -54.75 117.91 3.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.252 0.345 . . . . 0.0 110.82 -178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.8 -2.28 13.47 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.091 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -84.12 131.18 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.941 0.371 . . . . 0.0 110.455 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 94.3 t -87.55 135.47 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.522 HG12 HD13 ' A' 1109 ' ' ILE . 66.6 mt -129.5 138.82 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.5 mt -99.56 122.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 88.1 t -71.59 112.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.072 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 62.4 p -105.88 -17.6 14.31 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.88 178.01 38.75 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.18 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -137.58 134.02 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.674 0.274 . . . . 0.0 110.929 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -107.71 -50.7 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.26 0.552 . . . . 0.0 110.307 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -139.07 -179.83 6.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.904 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -77.19 -15.99 59.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 0.0 110.339 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.627 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.0 pt-20 -122.46 9.5 9.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.753 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.627 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 90.3 m95 -139.93 108.32 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.757 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.518 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 49.4 m0 -110.79 168.34 9.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.134 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' 1117 ' ' GLY . 81.9 mt -113.18 135.38 52.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.23 -177.87 42.04 Favored Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.613 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.473 ' HB2' ' HA ' ' A' 1113 ' ' PRO . 2.5 p-80 -132.57 150.8 52.1 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 123.651 0.265 . . . . 0.0 110.565 -176.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.561 HG12 HD22 ' A' 1086 ' ' LEU . 19.7 mm -58.95 124.91 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.546 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.58 129.44 39.87 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.47 -9.17 69.25 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.346 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -162.31 90.17 1.36 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.278 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1113 ' ' PRO . . . . . 0.473 ' HA ' ' HB2' ' A' 1108 ' ' HIS . 21.3 Cg_exo -65.6 -7.6 16.79 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.399 2.733 . . . . 0.0 112.603 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.06 -41.78 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.478 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.51 ' HB3' HD12 ' A' 1086 ' ' LEU . 36.0 mtt180 -86.08 89.57 7.86 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.776 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.443 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -138.77 166.65 23.86 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.545 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1117 ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 153.45 -151.57 23.31 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.4 m -92.82 140.39 16.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.013 0.435 . . . . 0.0 110.661 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.9 p90 -139.56 136.69 17.88 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.41 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.1 Cg_endo -65.51 123.61 11.68 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.731 2.287 . . . . 0.0 111.812 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.419 HG21 ' C ' ' A' 1103 ' ' GLU . 12.5 t -65.01 -25.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.46 -175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.5 p -69.04 -16.28 63.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -97.27 1.38 49.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.4 m -129.69 148.38 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.45 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.0 OUTLIER -104.08 121.32 42.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.831 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.503 HG12 HG12 ' A' 1072 ' ' VAL . 70.5 mt -75.02 136.25 25.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.364 0.602 . . . . 0.0 112.278 -170.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' 1073 ' ' LYS . 3.2 mt -101.91 117.99 35.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.7 m -90.25 39.58 0.97 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.492 0.663 . . . . 0.0 109.741 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.245 0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.207 -177.6 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.538 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 17.6 tpp85 -142.24 98.65 3.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.741 0.782 . . . . 0.0 111.185 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 65.9 mtt180 -126.13 169.51 12.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.8 m -139.84 144.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.545 ' HE2' HG21 ' A' 1093 ' ' VAL . 9.7 tptp -108.38 106.49 16.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1074 ' ' THR . . . . . . . . . . . . . 61.4 p -54.82 112.49 1.05 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.542 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' 1125 ' ' HIS . 6.2 pt -102.52 5.33 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.53 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -145.08 139.96 27.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.141 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.39 118.63 11.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 173.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 41.4 t -117.22 107.21 14.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.147 0.498 . . . . 0.0 111.454 -177.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -94.18 95.14 8.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.416 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -54.91 146.85 16.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.394 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.33 -35.05 12.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.486 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -114.07 158.43 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.87 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.0 -16.78 62.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.191 0.52 . . . . 0.0 110.091 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -67.73 -30.87 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.69 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.528 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 36.8 mt-10 -87.07 153.0 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 108.849 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.478 HD22 HD11 ' A' 1094 ' ' ILE . 45.0 tp -91.03 138.64 31.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.235 0.54 . . . . 0.0 111.146 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.5 m -104.83 120.4 41.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.349 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.569 ' HB3' HD11 ' A' 1109 ' ' ILE . 26.3 p90 -146.7 158.82 43.99 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.657 -175.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.45 157.97 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.305 0.574 . . . . 0.0 110.367 178.082 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.66 116.71 3.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.62 -173.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.88 -3.02 14.8 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.029 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.86 159.76 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.651 0.738 . . . . 0.0 112.13 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.545 HG21 ' HE2' ' A' 1073 ' ' LYS . 39.9 t -98.44 126.32 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.224 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.61 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -114.11 129.05 70.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.4 121.36 47.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.538 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 78.6 t -72.27 112.98 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 124.044 0.84 . . . . 0.0 110.22 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 56.0 p -107.49 -2.6 20.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.354 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.45 174.17 46.67 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.887 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -140.71 136.8 32.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 -16.33 6.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.76 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 14.8 t70 -148.94 -170.74 3.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' A' 1101 ' ' ASP . 30.3 tt0 -92.64 -25.03 18.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 0.0 110.063 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.618 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.3 pt-20 -116.82 11.29 14.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 109.842 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.76 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 89.4 m95 -137.92 105.74 5.64 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.897 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.435 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.3 m0 -111.5 165.41 12.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.243 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' 1117 ' ' GLY . 98.8 mt -113.47 131.38 65.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.062 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.96 -176.17 40.01 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.9 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.6 p-80 -131.43 151.97 51.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.726 0.298 . . . . 0.0 110.989 -173.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.569 HD11 ' HB3' ' A' 1088 ' ' PHE . 23.7 mm -70.44 123.49 24.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.584 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.85 137.45 53.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.09 34.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.138 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -146.83 80.78 9.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.91 -5.05 12.48 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.89 2.393 . . . . 0.0 112.863 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -73.94 -28.01 61.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 109.861 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -94.35 92.03 6.98 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.569 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -139.99 161.96 36.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1117 ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 162.82 -152.52 22.73 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' 1105 ' ' TRP . 23.9 m -96.88 132.29 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.327 0.584 . . . . 0.0 110.786 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.479 ' HE1' ' N ' ' A' 1107 ' ' GLY . 25.8 p90 -129.62 140.78 39.67 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.26 122.23 9.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.671 2.247 . . . . 0.0 111.752 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 12.1 t -67.71 -23.24 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.746 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 14.0 t -79.31 11.05 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -121.29 0.52 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.631 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 28.1 m -129.31 162.12 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 0.0 111.557 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HG22 ' A' 1075 ' ' ILE . 3.2 t60 -117.32 103.84 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.489 HG12 HG11 ' A' 1072 ' ' VAL . 68.0 mt -62.15 132.44 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -169.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.534 HD23 ' HB2' ' A' 1073 ' ' LYS . 11.6 mt -96.71 137.96 35.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.841 -1.072 . . . . 0.0 108.294 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 5.7 p -85.48 8.9 17.37 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.33 0.586 . . . . 0.0 111.751 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.04 173.194 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.605 0.241 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.507 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 7.2 tpt180 -149.53 99.13 2.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.513 ' HG2' HG12 ' A' 1095 ' ' ILE . 72.3 mtm-85 -131.33 157.15 44.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.571 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.0 m -131.13 150.42 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.025 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.551 ' HB2' HD22 ' A' 1127 ' ' LEU . 18.3 tptm -116.21 102.84 9.94 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.515 HG22 HG11 ' A' 1124 ' ' VAL . 68.2 p -53.97 132.4 42.16 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.025 0.441 . . . . 0.0 111.462 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.8 pt -118.97 -6.45 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' 1075 ' ' ILE . 96.0 m-85 -133.14 143.61 49.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.953 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.03 132.33 51.6 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.933 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 50.7 t -133.38 94.43 3.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 110.318 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.536 ' HA ' HG22 ' A' 1087 ' ' THR . 6.8 pt20 -92.75 95.11 9.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.625 0.726 . . . . 0.0 109.881 176.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -55.8 141.65 37.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.027 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.4 -34.18 10.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.509 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.527 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 10.7 m120 -90.14 159.74 16.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.31 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.08 -23.99 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.472 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.76 -23.1 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.795 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 62.0 mt-10 -75.58 145.8 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.61 HD23 HG12 ' A' 1109 ' ' ILE . 53.9 tp -91.62 141.6 28.53 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.282 0.563 . . . . 0.0 111.167 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.536 HG22 ' HA ' ' A' 1079 ' ' GLN . 7.5 m -101.46 123.15 45.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.688 176.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -154.62 162.03 41.32 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.0 166.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.02 119.01 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.16 0.288 . . . . 0.0 110.623 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.99 -0.59 14.88 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.536 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.424 ' HG2' HD11 ' A' 1089 ' ' ILE . 10.1 mm-40 -84.6 136.07 33.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 110.711 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 28.7 t -91.77 124.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.448 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.53 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -116.8 129.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.98 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.513 HG12 ' HG2' ' A' 1071 ' ' ARG . 24.7 mt -91.53 119.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.507 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 59.6 t -69.99 113.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.407 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 57.5 p -108.24 -7.84 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.97 172.08 41.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -141.28 129.15 21.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 110.21 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -104.29 -54.14 2.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.901 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' 1102 ' ' GLN . 13.3 t70 -136.73 -167.48 2.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.72 -172.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.469 ' H ' ' CG ' ' A' 1101 ' ' ASP . 4.6 tp-100 -72.21 -38.34 69.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 0.0 109.729 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' 1120 ' ' PRO . 5.3 pt-20 -120.92 18.9 11.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.773 -174.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.408 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 85.8 m95 -141.5 108.96 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.507 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.6 m0 -114.45 174.91 5.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.405 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.85 136.64 57.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -169.56 -166.37 28.46 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.577 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.546 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.5 OUTLIER -134.33 154.93 51.05 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.602 0.236 . . . . 0.0 110.387 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.61 HG12 HD23 ' A' 1086 ' ' LEU . 21.9 mm -75.15 132.39 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.43 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.452 ' HG2' HG13 ' A' 1095 ' ' ILE . 6.0 mm-40 -72.33 132.88 44.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.71 -34.01 4.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.589 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -134.79 72.78 68.21 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.03 -3.46 13.68 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 123.404 2.736 . . . . 0.0 112.99 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -81.08 -14.27 57.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.142 0.496 . . . . 0.0 110.16 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' 1086 ' ' LEU . 33.9 mtt-85 -86.93 94.58 9.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.546 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.4 mtmp? -126.83 166.93 16.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.003 0.43 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.02 -157.73 27.44 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.015 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.0 m -89.24 140.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.07 0.462 . . . . 0.0 110.772 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 29.8 p90 -139.44 136.85 18.14 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.061 178.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.8 Cg_endo -66.88 122.07 9.36 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.425 ' HA ' HG23 ' A' 1124 ' ' VAL . 42.4 t -65.31 -28.23 43.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.005 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.9 m -66.53 -16.51 64.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.789 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.462 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.6 m-85 -99.58 2.9 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.493 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.571 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 26.7 m -127.74 157.44 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 0.0 111.945 -175.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -115.53 101.1 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.527 HG12 HG11 ' A' 1072 ' ' VAL . 66.4 mt -61.63 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.313 0.577 . . . . 0.0 112.479 -172.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' 1073 ' ' LYS . 14.1 mt -103.25 122.48 44.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.463 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 17.5 p -96.49 29.79 2.79 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.635 -178.722 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.489 HH11 HG11 ' A' 1096 ' ' VAL . 41.6 ttm180 -83.7 137.47 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.433 . . . . 0.0 111.132 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -127.74 148.63 50.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.551 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 32.6 m -132.06 152.64 37.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.551 ' HB2' HD23 ' A' 1127 ' ' LEU . 14.7 tptp -118.92 104.14 10.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.436 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.508 HG22 HG11 ' A' 1124 ' ' VAL . 70.9 p -54.55 133.13 46.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.966 -175.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 12.4 pt -120.22 6.03 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.151 0.5 . . . . 0.0 111.025 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.523 ' N ' ' HB3' ' A' 1090 ' ' GLU . 79.3 m-85 -147.12 149.99 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.046 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.26 136.69 37.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 20.7 t -130.48 108.08 9.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -93.41 94.4 8.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.558 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -40.67 126.72 2.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 113.196 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -100.05 -30.21 12.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.555 ' HB2' ' HB2' ' A' 1085 ' ' GLU . 80.1 m-20 -94.35 148.81 21.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.397 175.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -11.3 60.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -103.79 5.45 36.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.93 . . . . 0.0 109.374 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.555 ' HB2' ' HB2' ' A' 1082 ' ' ASN . 30.5 tt0 -92.14 169.91 10.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.814 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.789 HD23 HG12 ' A' 1109 ' ' ILE . 54.9 tp -116.03 142.26 47.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.949 0.404 . . . . 0.0 111.262 -178.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 8.2 m -102.06 124.13 47.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.17 162.21 41.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.125 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.97 155.48 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.213 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.523 ' HB3' ' N ' ' A' 1076 ' ' TYR . 2.1 pp20? -63.79 126.91 29.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.853 0.835 . . . . 0.0 111.082 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.68 -5.95 14.16 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.747 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.94 151.1 20.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.484 HG23 ' HE2' ' A' 1073 ' ' LYS . 20.1 t -95.33 126.62 47.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.306 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.538 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 55.6 mt -116.15 131.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.527 HD11 ' HE2' ' A' 1108 ' ' HIS . 28.0 mt -96.84 120.89 46.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.489 HG11 HH11 ' A' 1070 ' ' ARG . 44.6 t -73.23 111.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.406 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 59.2 p -106.7 -6.14 18.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.93 171.83 44.69 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.267 -0.492 . . . . 0.0 111.995 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -134.87 126.39 28.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.448 ' OE1' HG11 ' A' 1118 ' ' VAL . 1.9 pt-20 -113.21 -12.2 13.14 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.695 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.707 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.0 t70 -159.23 -173.65 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.401 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.6 tt0 -81.28 -38.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.552 0.615 . . . . 0.0 110.036 179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.1 pt-20 -112.46 16.07 19.98 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.707 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 81.9 m95 -138.09 104.6 5.27 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.627 0.727 . . . . 0.0 110.429 178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.491 ' O ' ' HA ' ' A' 1118 ' ' VAL . 52.0 m0 -113.9 167.96 10.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.169 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 91.1 mt -113.19 135.2 53.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -166.39 -164.75 22.54 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.094 -1.051 . . . . 0.0 112.041 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.527 ' HE2' HD11 ' A' 1095 ' ' ILE . 1.7 p-80 -141.18 149.01 40.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.789 HG12 HD23 ' A' 1086 ' ' LEU . 17.7 mm -68.39 125.45 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.43 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 9.8 tp10 -70.81 130.05 40.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.95 11.21 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.18 -172.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -132.64 78.8 66.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.06 -11.78 33.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 123.202 2.601 . . . . 0.0 113.075 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -77.56 -20.59 53.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.422 0.629 . . . . 0.0 109.947 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.445 ' HD3' ' HA ' ' A' 1115 ' ' ARG . 14.6 mmt180 -86.72 86.83 7.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.482 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -125.98 171.9 10.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.409 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.4 -164.42 27.68 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.344 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.3 m -88.27 140.85 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.203 0.525 . . . . 0.0 110.795 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.412 ' HE1' ' N ' ' A' 1107 ' ' GLY . 27.6 p90 -138.46 139.73 25.79 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.54 117.28 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.617 2.211 . . . . 0.0 111.971 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.424 ' HA ' HG23 ' A' 1124 ' ' VAL . 30.9 t -64.69 -27.82 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.098 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.0 m -65.76 -13.53 59.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -102.35 1.73 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.551 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.2 m -124.65 156.03 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.802 0.334 . . . . 0.0 111.339 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.88 105.76 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.517 HG12 HG12 ' A' 1072 ' ' VAL . 39.8 mt -67.63 137.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.161 0.505 . . . . 0.0 111.831 -171.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' 1073 ' ' LYS . 14.8 mt -87.53 106.02 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.791 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 10.3 p -87.33 25.02 1.47 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.49 0.662 . . . . 0.0 110.085 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.632 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.601 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 mtt180 -57.77 125.7 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.168 0.509 . . . . 0.0 111.903 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 82.7 mtt85 -129.8 161.16 31.39 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 175.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.6 m -142.49 144.5 24.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -114.33 115.51 27.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.135 0.493 . . . . 0.0 109.757 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.485 HG22 ' CD1' ' A' 1088 ' ' PHE . 82.3 p -56.18 111.54 0.99 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.997 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.491 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.7 pt -101.35 3.9 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.445 0.641 . . . . 0.0 109.853 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' 1123 ' ' PHE . 94.8 m-85 -137.62 138.46 39.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.793 176.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.33 128.09 35.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.411 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 53.6 t -127.77 93.65 3.75 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.022 0.439 . . . . 0.0 110.738 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -89.13 89.02 7.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.119 0.485 . . . . 0.0 109.723 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -49.87 141.95 9.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.526 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.05 -32.02 12.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.412 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.29 150.68 35.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.58 -5.4 45.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.09 0.471 . . . . 0.0 110.812 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.41 -27.23 56.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.759 0.79 . . . . 0.0 109.276 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.525 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 25.9 mt-10 -87.04 147.24 25.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 178.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.79 139.07 32.21 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.705 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 4.9 m -102.22 124.77 48.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.51 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.485 ' CD1' HG22 ' A' 1074 ' ' THR . 14.7 p90 -157.92 163.97 37.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.087 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.55 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.12 166.19 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -53.71 120.73 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.228 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.15 -4.73 15.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.796 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.447 ' HG2' HD12 ' A' 1089 ' ' ILE . 24.3 mm-40 -82.12 131.07 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.068 0.461 . . . . 0.0 110.555 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.453 HG11 ' OE2' ' A' 1110 ' ' GLU . 99.0 t -87.74 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.537 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 72.9 mt -121.43 135.06 62.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.435 HG13 ' HB2' ' A' 1110 ' ' GLU . 6.7 mt -94.75 119.24 42.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.601 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 40.4 t -71.39 112.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.487 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.535 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 65.2 p -100.55 -20.38 15.73 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.07 176.23 40.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.71 138.06 45.61 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.412 ' OE1' HG11 ' A' 1118 ' ' VAL . 4.5 pt-20 -113.71 -31.06 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.34 0.59 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 18.5 t70 -140.7 -179.64 6.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.0 -26.42 36.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.096 0.474 . . . . 0.0 110.164 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.549 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.2 pt-20 -115.01 10.45 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.258 0.551 . . . . 0.0 110.46 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.78 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 90.5 m95 -137.16 109.98 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.777 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.5 m0 -112.05 166.03 11.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.478 HG12 HG12 ' A' 1118 ' ' VAL . 97.1 mt -121.77 137.44 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.049 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.535 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.97 -158.14 15.43 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 119.739 -1.219 . . . . 0.0 112.162 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.465 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.5 p-80 -145.39 148.65 33.57 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' 1115 ' ' ARG . 1.0 OUTLIER -67.13 124.82 23.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.712 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.453 ' OE2' HG11 ' A' 1093 ' ' VAL . 7.7 tt0 -61.58 118.76 7.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.479 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.63 -22.75 37.34 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.243 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.427 HE21 HG23 ' A' 1109 ' ' ILE . 1.9 mp0 -124.8 81.0 61.97 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 109.946 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.98 -4.89 16.15 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.297 2.665 . . . . 0.0 113.196 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -86.33 1.65 50.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.542 0.687 . . . . 0.0 110.017 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.535 ' HB3' HG13 ' A' 1109 ' ' ILE . 8.1 mmt85 -120.46 86.64 2.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.405 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.8 mtmt -118.46 177.16 4.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 143.5 -161.6 27.69 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.789 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.478 HG12 HG12 ' A' 1106 ' ' ILE . 14.6 m -98.22 144.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.851 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 18.1 p90 -140.27 133.97 15.27 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 125.47 14.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.574 2.182 . . . . 0.0 111.346 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.412 HG21 ' C ' ' A' 1103 ' ' GLU . 13.7 t -64.86 -27.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.576 -173.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 t -76.05 -7.62 55.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.664 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 6.3 m-85 -97.25 -0.49 46.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.476 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 35.4 m -130.96 153.76 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 112.18 -174.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.429 ' HB2' HG22 ' A' 1075 ' ' ILE . 1.8 t60 -103.54 106.43 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.885 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.511 HG12 HG12 ' A' 1072 ' ' VAL . 51.3 mt -70.03 143.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' A' 1071 ' ' ARG . 9.1 mt -113.02 128.79 56.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.218 177.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.9 t -90.08 47.08 1.41 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.275 0.56 . . . . 0.0 110.035 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.373 -179.585 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.437 0.637 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 tpt180 -84.22 101.64 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.945 -178.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -126.36 173.2 9.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.604 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.9 m -141.72 147.63 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.557 ' HE2' ' HA2' ' A' 1091 ' ' GLY . 22.5 tptm -113.15 104.54 12.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.509 HG21 HG11 ' A' 1124 ' ' VAL . 72.3 p -54.63 123.15 12.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.101 0.477 . . . . 0.0 111.57 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.608 HD11 ' HD1' ' A' 1125 ' ' HIS . 6.4 pt -107.82 -3.56 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.437 ' CD2' HG13 ' A' 1075 ' ' ILE . 81.3 m-85 -136.0 151.82 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.76 123.3 25.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.683 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.451 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.2 t -125.21 103.36 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.055 0.455 . . . . 0.0 110.196 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -95.96 95.29 8.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.707 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.514 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.21 130.76 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.294 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -83.92 -29.29 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.584 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -107.56 149.12 28.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.024 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.91 -8.06 55.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.208 0.528 . . . . 0.0 110.126 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.37 -22.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.217 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.514 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 29.8 mt-10 -102.15 153.15 20.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.622 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.456 HD23 HD13 ' A' 1094 ' ' ILE . 58.0 tp -90.91 139.88 30.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.342 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.8 m -100.86 130.31 46.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.35 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.451 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 20.3 p90 -159.51 166.32 31.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 167.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.14 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.85 114.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.421 0.451 . . . . 0.0 110.875 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1091 ' ' GLY . . . . . 0.557 ' HA2' ' HE2' ' A' 1073 ' ' LYS . . . 118.24 5.88 12.67 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.003 -0.618 . . . . 0.0 113.152 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.444 ' HG2' HD12 ' A' 1089 ' ' ILE . 59.0 mm-40 -89.11 143.82 26.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.0 110.545 175.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 47.4 t -102.06 125.77 56.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.824 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.547 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -118.74 138.31 49.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.734 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.615 HD13 ' CD2' ' A' 1108 ' ' HIS . 3.9 mp -93.4 122.54 44.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.439 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 62.1 t -69.16 108.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.441 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.1 p -112.72 1.72 15.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.644 -174.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.4 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.426 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -141.73 120.4 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.619 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.427 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.2 mm-40 -96.11 -43.08 7.91 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.564 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' 1102 ' ' GLN . 8.1 t70 -148.43 -162.02 1.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.402 ' H ' ' CG ' ' A' 1101 ' ' ASP . 61.8 tt0 -84.45 -31.17 24.73 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.632 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.4 pt-20 -110.37 11.26 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.078 0.466 . . . . 0.0 110.75 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.632 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.1 m95 -139.62 107.97 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.865 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -116.45 165.85 12.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.153 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.427 HG13 ' HG2' ' A' 1100 ' ' GLU . 80.3 mt -114.1 140.89 32.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.473 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -165.45 -174.98 35.62 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.557 -1.306 . . . . 0.0 112.804 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.615 ' CD2' HD13 ' A' 1095 ' ' ILE . 2.0 p-80 -136.86 146.39 45.52 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.508 HD13 HG12 ' A' 1094 ' ' ILE . 21.1 mm -67.06 135.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.574 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.483 ' OE1' HD11 ' A' 1095 ' ' ILE . 1.5 mm-40 -53.15 115.99 2.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 175.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.97 -11.06 69.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.891 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -133.91 92.4 22.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.794 0.33 . . . . 0.0 111.308 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.83 0.42 6.48 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.857 2.371 . . . . 0.0 110.461 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.26 -36.08 22.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.028 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -90.55 90.97 8.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.173 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.507 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.4 mtmm -132.19 173.94 10.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.843 0.354 . . . . 0.0 110.605 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 142.07 -167.04 26.16 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.156 174.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.1 m -83.96 143.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.473 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.7 p90 -144.59 134.33 11.62 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' 1103 ' ' GLU . 27.7 Cg_endo -65.06 124.63 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.72 2.28 . . . . 0.0 111.565 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.2 t -65.18 -25.07 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.576 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 33.0 t -75.88 -3.8 37.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.419 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 13.5 m-85 -102.66 0.59 33.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.604 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.2 m -132.37 159.7 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.218 -176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.608 ' HD1' HD11 ' A' 1075 ' ' ILE . 1.6 t60 -116.36 108.1 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.518 HG12 HG13 ' A' 1072 ' ' VAL . 60.0 mt -65.77 141.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -168.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.4 mt -115.22 135.46 54.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.288 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -96.81 13.98 26.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 168.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.957 -179.434 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' ' CZ3' ' A' 1105 ' ' TRP . 10.3 ptp85 . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.44 ' HG2' HG12 ' A' 1095 ' ' ILE . 50.2 mtt85 -119.02 146.72 44.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 HG12 ' A' 1126 ' ' ILE . 31.5 m -129.93 148.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.138 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' 1093 ' ' VAL . 18.0 tptp -117.36 103.11 9.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.628 HG22 HG12 ' A' 1124 ' ' VAL . 80.6 p -53.78 122.41 9.9 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.207 0.527 . . . . 0.0 111.829 -174.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1125 ' ' HIS . 10.6 pt -106.61 -3.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -139.12 148.36 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.205 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.26 136.83 36.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 33.8 t -124.37 103.96 8.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -89.63 90.28 8.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.867 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.85 151.71 38.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.384 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.4 -33.29 4.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.087 0.47 . . . . 0.0 110.154 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.8 150.5 20.59 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.4 -12.62 60.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.41 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.33 -27.33 47.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.869 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.626 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 43.2 mt-10 -81.49 151.9 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.312 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' 1115 ' ' ARG . 61.4 tp -96.07 140.7 30.41 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.646 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 2.3 m -106.24 122.33 46.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.644 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' 1074 ' ' THR . 21.9 p90 -152.19 165.22 35.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.221 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.86 171.66 12.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.587 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.28 116.39 3.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.31 -3.12 14.03 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.8 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.03 138.09 37.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.474 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 21.8 t -91.02 130.33 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 59.5 mt -123.44 130.49 74.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.501 HG13 ' HB2' ' A' 1110 ' ' GLU . 20.5 mt -94.61 116.61 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.48 HG22 ' HZ ' ' A' 1119 ' ' PHE . 91.8 t -69.17 117.69 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.936 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 70.4 p -112.09 -12.5 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.12 175.46 41.64 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -135.65 136.18 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.741 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -110.57 -50.45 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.66 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 38.2 t70 -143.5 -178.73 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.549 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.694 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 15.2 pt20 -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.097 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.707 ' O ' ' HA ' ' A' 1120 ' ' PRO . 29.5 mm-40 -107.97 4.21 24.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.381 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 92.7 m95 -138.81 103.85 4.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.297 0.57 . . . . 0.0 111.074 -172.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.487 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 46.1 m0 -111.36 167.36 10.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.825 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 1117 ' ' GLY . 92.8 mt -113.44 133.77 58.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.484 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.52 -174.13 39.59 Favored Glycine 0 N--CA 1.434 -1.475 0 C-N-CA 120.149 -1.024 . . . . 0.0 111.903 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.52 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.2 p-80 -134.4 151.03 50.95 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 123.75 0.323 . . . . 0.0 110.26 -175.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.611 HD13 HG12 ' A' 1094 ' ' ILE . 27.2 mm -65.31 121.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 12.8 tt0 -68.05 128.26 35.88 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.51 -13.85 65.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.958 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -154.32 78.52 5.19 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -71.25 -2.74 11.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.287 2.658 . . . . 0.0 113.353 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -82.87 -13.32 56.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.035 0.445 . . . . 0.0 110.472 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.495 ' HB3' HD11 ' A' 1086 ' ' LEU . 80.0 mtt180 -91.47 93.52 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 170.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.52 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.1 pttm -148.75 161.34 41.97 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1117 ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 154.88 -144.15 10.76 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.414 -1.075 . . . . 0.0 110.414 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 28.8 m -94.94 141.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 117.168 0.484 . . . . 0.0 110.571 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.484 ' HE1' ' N ' ' A' 1107 ' ' GLY . 34.3 p90 -142.18 140.22 19.03 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.707 ' HA ' ' O ' ' A' 1103 ' ' GLU . 36.5 Cg_endo -68.95 126.62 14.08 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.733 2.289 . . . . 0.0 112.621 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 23.0 t -71.26 -28.18 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.224 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 4.15 7.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -112.86 -0.54 14.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.628 HG12 HG22 ' A' 1074 ' ' THR . 28.0 m -124.61 155.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.802 0.334 . . . . 0.0 111.478 -175.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.509 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.9 t60 -108.27 106.2 16.25 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.6 HG12 HG12 ' A' 1072 ' ' VAL . 38.2 mt -76.73 134.01 29.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.603 0.716 . . . . 0.0 112.223 -170.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.767 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.636 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 121.168 0.509 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.47 152.74 31.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.5 m -128.94 154.58 40.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.3 tmtt? -128.19 113.99 16.41 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.504 HG22 HG12 ' A' 1124 ' ' VAL . 69.0 p -61.0 133.17 55.83 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.467 -170.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.578 HG23 ' HB2' ' A' 1125 ' ' HIS . 12.7 pt -112.14 -10.37 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' 1075 ' ' ILE . 68.2 m-85 -133.41 153.32 51.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 t70 -74.13 130.05 39.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 37.9 t -119.84 112.54 19.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -97.19 96.61 8.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.675 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.37 145.24 54.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.995 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.53 -34.11 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.274 0.559 . . . . 0.0 109.914 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.535 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 23.8 t30 -92.3 140.81 29.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.35 -11.37 60.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 111.137 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 1.7 m-20 -88.98 -4.13 58.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.691 174.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 60.3 mt-10 -94.63 153.04 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.5 tp -96.77 137.43 35.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.473 0.654 . . . . 0.0 111.309 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.0 m -105.54 123.65 48.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.814 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.446 ' CD1' HG21 ' A' 1074 ' ' THR . 22.9 p90 -151.82 159.69 43.8 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.432 -176.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.513 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.46 168.78 12.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.518 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.66 116.61 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.496 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1091 ' ' GLY . . . . . 0.512 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.05 3.95 12.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.423 -0.894 . . . . 0.0 113.142 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.88 136.95 36.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.235 0.517 . . . . 0.0 110.57 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.8 t -89.75 136.44 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.868 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.616 HG12 HD13 ' A' 1109 ' ' ILE . 55.2 mt -126.36 137.25 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.1 mt -100.73 120.55 50.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.403 HG22 ' HZ ' ' A' 1119 ' ' PHE . 98.1 t -69.77 113.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.43 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 66.8 p -109.0 -15.74 14.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.18 179.31 39.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.297 -0.477 . . . . 0.0 112.105 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -142.22 141.77 32.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.834 0.35 . . . . 0.0 110.764 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -110.16 -54.76 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.418 0.628 . . . . 0.0 110.087 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' 1102 ' ' GLN . 21.2 t70 -136.9 -173.13 3.36 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.355 -175.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.417 ' H ' ' CG ' ' A' 1101 ' ' ASP . 12.5 pt20 -75.4 -23.58 57.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.172 0.511 . . . . 0.0 110.176 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.42 13.48 11.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.791 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1104 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -141.8 106.48 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.604 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.1 m0 -111.78 167.43 10.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.6 mt -117.33 136.38 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.266 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.43 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.12 -162.33 23.28 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.146 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.469 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.3 p-80 -144.05 148.95 35.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.616 HD13 HG12 ' A' 1094 ' ' ILE . 24.4 mm -62.95 125.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.77 122.93 18.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.021 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.36 -31.64 7.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.019 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -118.07 81.57 16.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 110.139 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.92 1.09 8.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.617 2.211 . . . . 0.0 113.211 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -87.48 -13.15 43.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.253 0.549 . . . . 0.0 109.728 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.543 ' HD3' HG13 ' A' 1109 ' ' ILE . 38.8 mtt180 -98.76 90.65 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.113 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.3 mtmp? -131.33 166.61 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.56 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 146.31 -161.22 28.32 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.856 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.9 m -86.9 140.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.403 ' HZ ' HG22 ' A' 1096 ' ' VAL . 31.6 p90 -138.09 134.35 17.84 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.426 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.89 122.2 10.16 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.661 2.241 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -24.43 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.243 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.5 m -69.76 -9.35 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.78 0.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.764 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.4 m -125.29 147.02 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.132 0.491 . . . . 0.0 112.157 -173.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.578 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.2 t60 -107.48 113.84 27.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.325 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.589 HG12 HG12 ' A' 1072 ' ' VAL . 21.3 mt -81.24 138.01 20.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.271 0.558 . . . . 0.0 112.322 -168.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.435 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.418 ' HD2' HG11 ' A' 1096 ' ' VAL . 20.8 ttm180 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 38.5 mtm180 -121.87 166.34 14.54 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.617 HG12 HD13 ' A' 1126 ' ' ILE . 35.9 m -138.95 160.96 29.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' 1127 ' ' LEU . 75.3 tttt -132.12 117.2 17.99 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.549 ' HA ' HG12 ' A' 1124 ' ' VAL . 50.3 p -63.44 132.31 50.99 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.531 -173.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 41.0 pt -115.48 -12.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -133.15 143.02 48.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.79 132.48 52.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.092 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.0 t -125.77 116.14 21.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -108.77 112.01 24.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.572 0.701 . . . . 0.0 110.127 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -61.46 124.25 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.756 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.65 -25.26 15.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.44 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 18.0 m120 -106.55 179.7 4.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.78 -42.56 49.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -92.01 0.56 57.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.382 0.61 . . . . 0.0 111.522 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 56.6 mt-10 -79.8 139.42 37.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.8 tp -87.62 140.59 29.36 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.4 m -101.83 126.51 48.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.107 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.468 ' CD1' HG21 ' A' 1074 ' ' THR . 16.5 p90 -156.05 157.89 36.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.552 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -114.67 160.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.507 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.85 117.54 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.328 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.76 -2.52 15.19 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.987 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.08 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.999 0.428 . . . . 0.0 109.851 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 72.8 t -93.27 129.46 43.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.172 0.511 . . . . 0.0 109.809 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.586 HG12 HD13 ' A' 1109 ' ' ILE . 62.9 mt -115.05 137.84 47.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.617 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.527 HD11 ' OE2' ' A' 1110 ' ' GLU . 9.8 mt -98.08 118.13 44.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.418 HG11 ' HD2' ' A' 1070 ' ' ARG . 52.8 t -69.98 111.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.386 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 60.7 p -113.85 -3.33 13.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.86 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.05 172.03 40.59 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.263 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -140.28 136.07 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.717 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.6 mm-40 -109.25 -48.87 3.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 110.757 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' 1102 ' ' GLN . 22.9 t70 -149.35 -163.94 1.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.038 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.9 tt0 -73.15 -34.13 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.407 0.622 . . . . 0.0 110.104 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' 1120 ' ' PRO . 4.7 pt-20 -122.99 14.84 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.988 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.3 m95 -136.61 110.72 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.231 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.0 m0 -114.92 171.06 7.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.871 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' 1100 ' ' GLU . 75.1 mt -119.13 136.36 56.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.558 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.14 -179.81 45.01 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 119.989 -1.101 . . . . 0.0 111.908 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.6 p-80 -127.46 153.51 46.2 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.814 0.361 . . . . 0.0 110.681 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.586 HD13 HG12 ' A' 1094 ' ' ILE . 33.5 mm -65.62 121.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.031 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.527 ' OE2' HD11 ' A' 1095 ' ' ILE . 5.4 tp10 -65.2 122.55 17.34 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.31 68.43 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.29 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -150.36 79.66 7.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -2.47 11.51 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.099 2.532 . . . . 0.0 114.931 -168.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -77.35 -34.27 55.18 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.533 ' HB3' HD11 ' A' 1086 ' ' LEU . 49.3 mtt180 -85.81 97.25 10.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.657 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 20.9 pttp -139.76 160.11 40.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.521 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.64 -157.53 29.25 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.6 m -86.78 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 0.0 110.86 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.558 ' HE1' ' N ' ' A' 1107 ' ' GLY . 33.3 p90 -139.9 137.36 18.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' 1103 ' ' GLU . 32.5 Cg_endo -67.49 122.91 10.18 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.833 2.355 . . . . 0.0 112.14 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 24.6 t -64.33 -28.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.29 -176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 6.3 m -70.75 -16.99 62.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -93.52 3.39 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.382 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' 1074 ' ' THR . 32.7 m -134.23 165.11 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.074 0.464 . . . . 0.0 110.971 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.4 OUTLIER -106.82 161.84 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 167.485 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.617 HD13 HG12 ' A' 1072 ' ' VAL . 30.8 mm -97.89 142.3 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.785 0.326 . . . . 0.0 110.404 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.3 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.72 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.596 ' HG2' HG12 ' A' 1095 ' ' ILE . 73.7 mtm180 -126.34 168.17 14.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.553 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 29.3 m -137.99 161.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.665 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.5 tmtt? -133.4 116.67 16.33 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.539 HG22 HG12 ' A' 1124 ' ' VAL . 80.4 p -64.58 129.79 41.18 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.908 -172.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.01 -3.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.043 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' A' 1090 ' ' GLU . 40.8 m-85 -138.98 156.92 46.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.422 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.17 130.47 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.252 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.588 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 12.4 t -139.99 94.83 2.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.345 0.593 . . . . 0.0 109.54 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.605 ' HA ' HG23 ' A' 1087 ' ' THR . 27.1 mt-30 -90.63 107.91 19.47 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.517 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -42.04 133.07 3.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.733 -177.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.15 -31.48 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.475 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -117.85 156.61 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.907 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.29 -20.26 66.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.354 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 7.1 m-20 -86.71 -12.64 47.72 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.997 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.472 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 70.8 mt-10 -87.81 153.72 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1115 ' ' ARG . 55.7 tp -97.72 143.03 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.288 0.566 . . . . 0.0 111.211 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.4 m -101.44 121.17 41.45 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.722 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 15.4 p90 -154.47 166.27 33.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.317 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 171.91 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' 1076 ' ' TYR . 26.5 mt-10 -56.44 113.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.382 0.427 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.87 4.34 12.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.305 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' 1089 ' ' ILE . 55.3 mm-40 -90.3 139.93 30.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.08 0.467 . . . . 0.0 110.813 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.9 t -102.16 130.89 51.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.838 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.626 HG12 HD13 ' A' 1109 ' ' ILE . 57.2 mt -121.24 139.0 49.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.998 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.596 HG12 ' HG2' ' A' 1071 ' ' ARG . 9.8 mt -93.5 124.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 60.7 t -71.54 110.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.972 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.586 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 68.6 p -114.29 -1.27 13.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.397 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.59 171.76 43.84 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.629 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -143.48 135.16 26.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.114 0.457 . . . . 0.0 110.659 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -114.94 -48.0 2.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.526 0.679 . . . . 0.0 110.49 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.611 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 25.8 t70 -135.42 -172.83 3.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.898 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.5 tt0 -77.14 -34.22 56.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.551 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.5 pt-20 -113.38 16.47 18.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.611 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 88.3 m95 -141.55 104.29 4.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.501 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.494 ' O ' ' HA ' ' A' 1118 ' ' VAL . 54.5 m0 -112.56 171.3 7.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.82 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 89.0 mt -116.33 138.75 45.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.586 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -174.2 -166.06 31.71 Favored Glycine 0 N--CA 1.433 -1.532 0 C-N-CA 119.708 -1.235 . . . . 0.0 112.462 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.488 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.1 p-80 -140.41 150.46 43.91 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.854 0.385 . . . . 0.0 110.307 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.626 HD13 HG12 ' A' 1094 ' ' ILE . 21.2 mm -68.44 127.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.479 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.498 ' HG2' HG13 ' A' 1095 ' ' ILE . 3.4 mm-40 -60.03 118.55 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.283 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.88 -13.64 67.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.199 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -132.69 78.66 66.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.61 -9.24 25.53 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.948 2.432 . . . . 0.0 112.558 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -78.76 -21.28 48.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.407 0.623 . . . . 0.0 109.559 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.548 ' HB3' HD11 ' A' 1086 ' ' LEU . 10.2 mmt180 -93.67 92.19 7.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.21 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.7 mtmt -131.69 175.88 8.81 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.543 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 137.92 -163.77 25.56 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.834 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' 1105 ' ' TRP . 22.4 m -86.29 137.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.161 0.505 . . . . 0.0 110.256 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 28.1 p90 -133.13 136.92 28.29 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.21 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.551 ' HA ' ' O ' ' A' 1103 ' ' GLU . 39.7 Cg_endo -69.41 119.53 6.48 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 111.786 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' 1124 ' ' VAL . 16.1 t -68.99 -21.25 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.318 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.0 p -72.21 -8.75 56.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.808 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.3 m-85 -107.95 6.7 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.602 HG22 ' HA ' ' A' 1121 ' ' VAL . 19.0 m -138.8 170.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.689 0.757 . . . . 0.0 112.094 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.2 OUTLIER -113.96 156.35 24.18 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.074 169.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.475 HG13 HG12 ' A' 1072 ' ' VAL . 2.9 mp -100.61 138.31 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' 1073 ' ' LYS . 7.2 mt . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.363 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.497 ' HD2' HG11 ' A' 1096 ' ' VAL . 40.0 ttm180 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 121.01 0.434 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' 1095 ' ' ILE . 88.2 mtm180 -126.29 147.56 49.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.378 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.579 HG12 HG12 ' A' 1126 ' ' ILE . 25.5 m -129.35 153.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -124.27 113.31 18.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.077 0.465 . . . . 0.0 109.76 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.584 HG22 HG12 ' A' 1124 ' ' VAL . 76.4 p -56.07 128.9 37.68 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.058 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.7 pt -112.65 -2.49 10.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.518 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.413 ' CD2' HG13 ' A' 1075 ' ' ILE . 84.6 m-85 -136.16 138.26 41.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.879 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.42 131.33 46.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.716 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.699 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.0 t -141.13 94.95 2.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.593 0.711 . . . . 0.0 109.858 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.589 ' HA ' HG23 ' A' 1087 ' ' THR . 36.7 mt-30 -93.64 101.49 13.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.861 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -46.59 126.58 8.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.163 -177.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.69 -37.72 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.41 173.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 31.9 m-80 -94.11 159.06 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.796 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.33 -20.99 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.441 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.56 -12.4 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.625 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.4 mt-10 -86.03 157.6 20.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.417 HD21 HG12 ' A' 1109 ' ' ILE . 62.0 tp -96.62 143.74 27.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.134 0.493 . . . . 0.0 111.137 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' 1079 ' ' GLN . 34.8 m -103.9 124.6 49.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.809 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.699 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 21.1 p90 -157.45 164.07 37.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.119 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.48 173.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.634 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.78 -5.01 12.85 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.613 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.41 127.24 31.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.979 0.418 . . . . 0.0 110.676 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 61.6 t -88.64 122.2 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.573 HG12 HD13 ' A' 1109 ' ' ILE . 57.9 mt -113.48 129.84 68.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.809 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.623 HG12 ' HG2' ' A' 1071 ' ' ARG . 27.4 mt -91.78 117.12 34.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.497 HG11 ' HD2' ' A' 1070 ' ' ARG . 58.7 t -68.99 116.31 9.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.26 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.9 p -110.08 -8.37 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.087 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -173.45 174.33 46.03 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.358 -0.449 . . . . 0.0 112.098 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.58 137.03 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 0.0 110.27 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.468 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.9 mm-40 -105.2 -43.59 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.097 0.475 . . . . 0.0 110.412 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.7 t70 -151.13 -164.5 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.854 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.474 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.7 pt20 -77.79 -29.42 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 110.555 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.705 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.6 pt-20 -117.3 9.39 13.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.705 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.5 m95 -138.77 108.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 -176.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 48.7 m0 -113.21 165.49 12.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.068 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.468 HG13 ' HG2' ' A' 1100 ' ' GLU . 85.4 mt -114.97 136.58 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.524 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -163.72 -169.74 27.65 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.765 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.445 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.0 p-80 -135.43 151.03 50.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.573 HD13 HG12 ' A' 1094 ' ' ILE . 24.8 mm -69.23 131.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 129.8 43.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.826 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.18 2.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.605 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -121.98 90.64 48.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 122.706 -0.291 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.87 -1.16 7.24 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.447 2.098 . . . . 0.0 111.788 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -75.35 -26.04 58.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.814 0.816 . . . . 0.0 108.906 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -95.7 88.55 5.02 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.607 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 27.3 mtmt -121.07 173.07 7.5 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.996 173.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.73 -169.6 30.56 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.342 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' 1105 ' ' TRP . 26.9 m -86.23 142.53 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.524 ' HE1' ' N ' ' A' 1107 ' ' GLY . 21.0 p90 -142.37 135.41 14.01 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.588 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1103 ' ' GLU . 25.2 Cg_endo -65.74 125.62 14.6 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.673 2.249 . . . . 0.0 111.905 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 9.7 t -64.04 -25.27 37.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.385 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 2.6 p -70.36 -16.41 62.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -95.99 -1.91 48.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.568 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.584 HG12 HG22 ' A' 1074 ' ' THR . 31.5 m -122.68 147.29 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.1 0.476 . . . . 0.0 111.784 -174.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.484 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.1 t60 -104.3 105.1 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.579 HG12 HG12 ' A' 1072 ' ' VAL . 20.9 mt -72.81 132.31 33.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.186 0.517 . . . . 0.0 111.419 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.488 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.25 0.548 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.788 ' HG2' HG12 ' A' 1095 ' ' ILE . 82.0 mtm180 -127.66 170.48 12.64 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.9 m -138.8 142.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.887 0.375 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.45 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.2 tppp? -107.45 105.46 15.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.599 HG22 HG12 ' A' 1124 ' ' VAL . 72.6 p -55.76 121.01 8.23 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' 1125 ' ' HIS . 4.7 pt -103.56 -1.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -139.47 145.73 39.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.84 135.12 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.357 175.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 52.1 t -129.99 106.61 8.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' 1079 ' ' GLN . 1.2 pp0? -88.11 97.52 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.837 0.827 . . . . 0.0 109.598 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.54 137.39 58.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.672 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -101.08 -44.13 5.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.215 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' 1084 ' ' ASP . 58.3 t30 -85.1 145.8 27.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.12 0.65 11.0 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.055 0.455 . . . . 0.0 111.104 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.46 ' HB3' ' ND2' ' A' 1082 ' ' ASN . 25.2 t70 -98.75 -18.87 17.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.133 175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.542 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 49.0 mt-10 -84.17 152.17 24.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.582 HD21 HG12 ' A' 1109 ' ' ILE . 58.4 tp -96.07 142.33 28.4 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.803 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.6 m -101.73 122.98 44.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.948 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.432 ' CD1' HG21 ' A' 1074 ' ' THR . 23.3 p90 -149.29 156.3 41.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.779 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -114.65 172.88 3.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.36 118.53 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.873 0.368 . . . . 0.0 110.582 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1091 ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.18 -1.1 16.83 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.67 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 33.5 mm-40 -83.55 140.35 32.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.118 0.485 . . . . 0.0 110.451 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 17.5 t -100.7 123.13 53.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.563 HG12 HD13 ' A' 1109 ' ' ILE . 53.3 mt -116.88 131.9 68.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.788 HG12 ' HG2' ' A' 1071 ' ' ARG . 16.7 mt -88.97 127.06 41.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 84.8 t -74.16 108.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 123.603 0.564 . . . . 0.0 110.394 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.1 p -108.39 -8.1 15.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.372 -174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.21 177.11 47.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.019 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -128.59 148.92 50.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.697 0.284 . . . . 0.0 110.576 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -121.15 -46.19 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.73 0.776 . . . . 0.0 109.772 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 24.5 t70 -143.04 -179.12 6.18 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.523 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -80.3 -15.72 56.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.151 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.725 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.5 pt-20 -118.18 10.48 12.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.634 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.725 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.9 m95 -141.3 107.56 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.904 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.447 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.9 m0 -110.41 165.88 11.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.1 mt -112.98 131.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -159.18 -168.84 21.77 Favored Glycine 0 N--CA 1.437 -1.262 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.333 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.447 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.9 OUTLIER -139.5 152.46 46.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.582 HG12 HD21 ' A' 1086 ' ' LEU . 24.1 mm -70.83 128.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.705 0.288 . . . . 0.0 110.507 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.46 ' HG2' HG13 ' A' 1095 ' ' ILE . 2.5 mm-40 -61.01 121.39 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.937 174.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.11 -15.59 62.83 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.821 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -135.52 71.11 66.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.7 -9.43 22.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.403 . . . . 0.0 111.843 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.86 -30.05 58.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.258 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -102.63 99.81 9.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.43 0.633 . . . . 0.0 110.064 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.447 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 28.1 mtmt -120.15 177.95 4.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.534 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 151.22 -168.56 30.82 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.219 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' 1105 ' ' TRP . 30.0 m -86.37 141.86 13.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 0.0 110.633 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 22.2 p90 -138.51 136.73 19.25 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.471 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' 1103 ' ' GLU . 29.7 Cg_endo -66.53 123.97 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.747 2.298 . . . . 0.0 111.737 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' 1124 ' ' VAL . 10.2 t -68.17 -27.47 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.321 -175.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 13.1 t -76.83 -7.51 55.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.759 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -100.73 -2.05 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.599 HG12 HG22 ' A' 1074 ' ' THR . 23.0 m -124.25 152.42 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 111.558 -174.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.486 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -109.7 101.75 10.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.238 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 50.1 mt -63.53 142.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -170.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.452 -0.372 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.138 176.453 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' 1070 ' ' ARG . 38.7 ttm180 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.512 ' HD2' HG12 ' A' 1095 ' ' ILE . 0.1 OUTLIER -121.66 163.77 18.45 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 174.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.3 m -137.71 141.95 37.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.607 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.8 tmtt? -115.7 107.69 15.4 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.446 HG22 HG12 ' A' 1124 ' ' VAL . 61.9 p -56.19 130.55 44.76 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.203 -171.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 3.5 pt -115.22 -0.07 8.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.575 ' CD2' HG13 ' A' 1075 ' ' ILE . 97.7 m-85 -139.03 157.5 45.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.864 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.77 133.51 38.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.715 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.2 t -122.22 100.49 6.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -80.72 90.94 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.87 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' 1087 ' ' THR . . . -71.02 106.55 3.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.394 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -82.07 -27.12 33.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.573 0.701 . . . . 0.0 109.355 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 28.0 t30 -96.52 137.35 35.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.958 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.73 -12.58 61.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.506 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -83.0 -16.67 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 109.741 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 88.0 mt-10 -88.36 151.97 22.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.473 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.9 tp -93.16 140.51 29.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 0.0 111.652 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' 1080 ' ' ALA . 0.0 OUTLIER -103.54 117.83 35.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.006 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' 1074 ' ' THR . 18.9 p90 -145.69 166.38 25.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.502 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.56 165.35 21.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.19 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' 1090 ' ' GLU . 1.3 mp0 -50.81 116.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.711 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1091 ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.17 1.99 13.9 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.636 173.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -96.51 142.34 28.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.542 0.671 . . . . 0.0 110.606 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.584 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -100.18 129.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.071 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.596 HG12 HD13 ' A' 1109 ' ' ILE . 63.8 mt -117.86 136.96 53.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.512 HG12 ' HD2' ' A' 1071 ' ' ARG . 14.9 mt -91.97 121.53 42.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 93.9 t -69.59 109.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 123.534 0.521 . . . . 0.0 109.788 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 37.6 p -100.13 -23.58 14.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.487 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.83 174.23 32.39 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.995 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -141.69 119.1 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.15 -46.79 6.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' 1102 ' ' GLN . 17.1 t70 -145.26 -158.39 0.89 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.924 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.544 ' H ' ' CG ' ' A' 1101 ' ' ASP . 16.9 mt-30 -76.61 -45.52 29.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.381 0.61 . . . . 0.0 109.863 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -114.01 16.45 18.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.015 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.557 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 91.4 m95 -136.74 104.02 5.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.367 0.603 . . . . 0.0 110.433 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.7 m0 -116.13 169.3 9.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.175 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 97.3 mt -113.87 136.75 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.514 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -173.61 178.6 45.45 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.503 -178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.4 p-80 -130.77 151.79 50.82 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.739 0.317 . . . . 0.0 111.12 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.596 HD13 HG12 ' A' 1094 ' ' ILE . 26.5 mm -68.69 130.03 33.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.97 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' 1110 ' ' GLU . 1.7 mm-40 -61.6 118.36 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.038 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.22 -18.14 57.46 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.765 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 5.8 tp60 -126.4 72.43 72.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.49 -25.62 48.01 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.191 2.594 . . . . 0.0 113.991 -167.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -72.75 -27.33 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -79.17 86.28 4.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.274 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.7 pttp -144.91 172.78 12.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 147.54 -156.07 26.79 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.0 m -87.31 139.7 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 117.237 0.519 . . . . 0.0 110.851 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' 1072 ' ' VAL . 36.7 p90 -139.38 139.82 23.87 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.36 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.517 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.8 Cg_endo -68.93 121.76 8.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.769 2.313 . . . . 0.0 112.133 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.564 ' HA ' HG22 ' A' 1124 ' ' VAL . 21.2 t -68.75 -21.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.074 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.2 p -72.61 -11.6 60.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.485 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 8.8 m-85 -103.06 -0.42 30.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.661 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 32.7 m -124.19 151.93 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.406 0.622 . . . . 0.0 112.195 -173.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.453 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.2 t60 -106.23 102.53 11.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.552 HG12 HG12 ' A' 1072 ' ' VAL . 58.1 mt -68.06 141.34 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' 1073 ' ' LYS . 10.7 mt . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.111 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.643 ' HG2' HG12 ' A' 1095 ' ' ILE . 60.0 mtm180 -124.23 168.92 12.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.2 m -141.07 145.34 25.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' 1093 ' ' VAL . 9.2 tmtt? -116.08 108.46 16.22 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.536 HG22 HG12 ' A' 1124 ' ' VAL . 65.3 p -57.39 132.2 52.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.136 -172.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 5.9 pt -115.11 -1.54 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -140.82 145.87 36.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.27 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.25 133.84 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.352 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.9 t -128.83 94.18 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.027 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.93 88.64 7.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.598 0.713 . . . . 0.0 109.682 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.46 129.05 38.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.715 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -90.63 -46.21 8.42 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.469 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -82.81 135.17 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.02 -22.0 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.816 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.44 -12.59 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.342 0.591 . . . . 0.0 110.334 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 50.7 mt-10 -88.23 147.17 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.644 HD21 HG12 ' A' 1109 ' ' ILE . 58.6 tp -89.54 138.58 31.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.37 0.605 . . . . 0.0 110.944 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.406 HG23 ' H ' ' A' 1080 ' ' ALA . 0.2 OUTLIER -97.78 124.17 42.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.484 177.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.469 ' CD1' HG21 ' A' 1074 ' ' THR . 24.7 p90 -156.01 166.09 34.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.599 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.57 169.98 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.296 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -56.4 116.14 2.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.385 0.428 . . . . 0.0 111.011 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1091 ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 118.75 -0.79 15.47 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.072 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.439 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.6 mm-40 -89.88 143.08 27.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.003 0.43 . . . . 0.0 110.255 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' 1073 ' ' LYS . 74.3 t -105.59 128.22 59.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.544 0.688 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 58.9 mt -116.67 137.4 50.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 114.887 -1.052 . . . . 0.0 109.799 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.643 HG12 ' HG2' ' A' 1071 ' ' ARG . 25.3 mt -93.92 118.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 61.8 t -69.62 110.22 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.936 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.424 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 43.8 p -104.09 -15.96 15.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.535 -176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.79 175.81 39.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.898 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -134.75 146.22 49.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.413 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.1 mm-40 -114.4 -41.11 3.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.516 0.674 . . . . 0.0 109.691 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -148.99 -163.84 1.88 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.312 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -81.65 -30.15 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.66 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -113.68 12.84 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.66 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.6 m95 -140.04 106.5 5.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1118 ' ' VAL . 53.7 m0 -112.64 166.63 11.16 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.8 mt -116.97 135.84 56.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -167.74 -169.93 31.88 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 119.868 -1.158 . . . . 0.0 112.338 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.56 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.9 p-80 -134.5 149.2 50.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.282 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.644 HG12 HD21 ' A' 1086 ' ' LEU . 20.9 mm -70.73 128.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.419 ' CG ' HG13 ' A' 1095 ' ' ILE . 16.4 mt-10 -65.15 134.27 53.36 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.42 -20.71 48.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.416 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -145.32 86.98 7.25 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 121.064 0.459 . . . . 0.0 109.837 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 -9.3 25.0 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 123.03 2.487 . . . . 0.0 113.508 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.65 -23.69 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.387 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' 1086 ' ' LEU . 37.5 mtt180 -85.07 91.38 8.09 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.901 0.381 . . . . 0.0 110.214 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.56 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.9 mtmm -128.98 170.13 13.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.169 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.57 29.65 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.967 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1105 ' ' TRP . 20.2 m -84.36 142.89 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.932 0.396 . . . . 0.0 110.636 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.479 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.1 p90 -141.06 133.12 13.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.771 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.74 124.0 12.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.875 2.383 . . . . 0.0 111.973 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' 1124 ' ' VAL . 24.4 t -65.59 -25.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.116 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 40.4 t -72.28 -9.31 58.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.783 0.325 . . . . 0.0 110.753 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.67 -3.35 28.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.189 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.8 m -124.63 162.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 111.303 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.68 107.56 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.545 HG13 HG12 ' A' 1072 ' ' VAL . 3.7 mp -65.45 139.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' 1073 ' ' LYS . 12.4 mt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.862 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.617 HH11 HG11 ' A' 1096 ' ' VAL . 33.4 ttm180 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.204 0.526 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.41 ' CB ' HD12 ' A' 1127 ' ' LEU . 0.0 OUTLIER -113.72 155.87 24.81 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.108 173.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.8 m -132.04 137.92 53.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.355 173.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.537 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.3 tppp? -103.61 105.98 16.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.576 HG22 HG12 ' A' 1124 ' ' VAL . 71.4 p -55.1 128.9 35.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.537 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' 1076 ' ' TYR . 12.8 pt -112.68 0.99 8.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' 1075 ' ' ILE . 87.9 m-85 -137.01 146.84 45.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.096 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' ' OE1' ' A' 1090 ' ' GLU . 16.4 t70 -76.85 129.63 36.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.719 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 29.2 t -126.09 105.81 9.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.8 0.333 . . . . 0.0 110.423 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -89.41 88.59 7.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.888 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.72 146.59 45.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.639 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.51 -35.27 4.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.403 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 43.6 t30 -92.11 141.77 28.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.59 -21.58 64.46 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.595 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -75.23 -26.7 59.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.667 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.567 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 51.3 mt-10 -79.34 143.91 34.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.936 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' 1115 ' ' ARG . 57.4 tp -91.71 141.47 28.65 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 39.1 m -104.4 128.28 52.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.425 ' HB3' HD11 ' A' 1109 ' ' ILE . 19.8 p90 -150.85 163.26 39.08 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.402 -178.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.823 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.38 163.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.301 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.495 ' OE1' ' HB2' ' A' 1077 ' ' ASP . 1.0 OUTLIER -63.79 108.68 1.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 -177.576 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1091 ' ' GLY . . . . . 0.537 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.54 8.86 9.72 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.743 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.504 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.5 tp10 -98.39 134.63 41.11 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 34.2 t -89.39 128.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.97 0.415 . . . . 0.0 110.553 -176.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.645 HG12 HD13 ' A' 1109 ' ' ILE . 60.4 mt -110.75 130.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.415 HD11 ' OE2' ' A' 1110 ' ' GLU . 12.6 mt -94.79 116.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.617 HG11 HH11 ' A' 1070 ' ' ARG . 47.2 t -73.62 116.59 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.454 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.4 p -110.98 -6.09 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.407 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -177.92 178.17 48.44 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.45 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.95 157.89 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.267 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.587 ' HG2' HG13 ' A' 1106 ' ' ILE . 5.9 mm-40 -121.86 -55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.582 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -142.45 -161.34 1.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.369 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -77.7 -27.96 50.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.049 0.452 . . . . 0.0 110.35 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.684 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.3 pt-20 -121.52 10.61 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.047 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.684 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.3 m95 -137.09 115.26 11.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.48 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.528 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 47.3 m0 -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.587 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.5 mt -114.57 140.39 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.454 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -173.82 -154.62 10.88 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.896 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.411 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.5 p-80 -148.7 154.31 39.45 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.645 HD13 HG12 ' A' 1094 ' ' ILE . 21.5 mm -72.91 129.73 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 174.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 7.3 tp10 -75.28 140.42 43.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.85 -38.93 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.475 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -138.73 79.09 29.39 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.67 14.04 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.235 2.623 . . . . 0.0 113.432 -172.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.73 -19.69 28.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.397 0.618 . . . . 0.0 109.471 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 63.8 mtt-85 -85.98 92.46 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.377 173.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.411 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.6 mtmm -125.88 170.25 11.84 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.905 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 140.57 -153.67 23.74 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.648 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.47 HG12 ' HG3' ' A' 1100 ' ' GLU . 28.1 m -93.74 141.9 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.954 0.407 . . . . 0.0 110.73 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.434 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.9 p90 -136.9 136.84 21.81 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.6 Cg_endo -68.05 122.3 9.38 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.969 2.446 . . . . 0.0 112.12 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.9 t -62.59 -28.13 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.638 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.2 m -70.47 -13.01 61.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.736 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -100.42 0.58 40.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.735 0.303 . . . . 0.0 111.401 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 25.2 m -124.93 154.33 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.204 0.526 . . . . 0.0 111.825 -174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.492 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -111.7 104.09 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.578 HG12 HG12 ' A' 1072 ' ' VAL . 21.7 mt -73.1 138.7 20.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.04 0.447 . . . . 0.0 111.568 -170.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' 1071 ' ' ARG . 11.9 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.01 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' 1095 ' ' ILE . 85.8 mtm180 -124.99 160.04 29.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.3 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.573 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.9 tmtt? -125.48 108.07 11.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.547 HG22 HG12 ' A' 1124 ' ' VAL . 64.4 p -57.12 134.39 55.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.672 -170.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.47 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.1 pt -115.62 0.64 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.346 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.447 ' CD2' HG13 ' A' 1075 ' ' ILE . 75.8 m-85 -140.65 151.27 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.291 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.448 ' OD1' HG22 ' A' 1089 ' ' ILE . 20.4 t70 -77.7 133.67 38.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.69 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 40.6 t -124.28 120.32 31.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -107.93 98.61 8.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.42 136.96 57.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -107.31 -25.38 11.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.505 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 27.1 m-80 -105.97 146.92 29.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.426 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.36 -13.48 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.542 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 34.0 m-20 -89.51 -7.21 55.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.5 mt-10 -95.4 162.31 13.71 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 65.7 tp -107.89 144.8 34.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 45.5 m -106.76 128.1 53.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.788 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.516 ' CD1' HG21 ' A' 1074 ' ' THR . 24.1 p90 -158.69 158.89 34.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.672 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.05 171.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.57 114.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.242 0.339 . . . . 0.0 110.2 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.82 4.73 12.63 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.128 -1.034 . . . . 0.0 113.0 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 6.4 mm-40 -89.18 127.08 35.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' 1073 ' ' LYS . 48.9 t -87.49 124.72 41.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.543 HG12 HD13 ' A' 1109 ' ' ILE . 54.3 mt -117.28 131.37 70.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.414 HG12 ' HG2' ' A' 1071 ' ' ARG . 39.7 mt -95.8 118.6 42.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 42.4 t -69.6 106.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 123.943 0.777 . . . . 0.0 110.282 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 44.1 p -97.61 -17.52 19.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.64 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.63 171.58 35.38 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.019 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -137.3 125.17 22.61 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.401 ' HG2' HG13 ' A' 1106 ' ' ILE . 36.5 mm-40 -98.32 -52.93 3.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.361 0.6 . . . . 0.0 110.839 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.72 -166.24 2.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.08 -172.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.73 -33.48 66.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.602 0.715 . . . . 0.0 109.966 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.721 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -120.34 9.94 11.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.999 -172.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.721 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.9 m95 -137.38 107.3 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.771 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.452 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.1 m0 -110.69 163.99 13.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' 1100 ' ' GLU . 82.2 mt -113.83 134.42 56.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.503 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -160.96 -171.0 26.34 Favored Glycine 0 N--CA 1.434 -1.439 0 C-N-CA 119.834 -1.174 . . . . 0.0 112.232 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.51 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.4 p-80 -136.41 152.11 50.25 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.543 HD13 HG12 ' A' 1094 ' ' ILE . 29.7 mm -71.27 131.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' 1093 ' ' VAL . 0.4 OUTLIER -62.69 131.41 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.728 178.392 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.22 -39.6 2.83 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.155 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.1 tp60 -127.64 92.03 43.95 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 110.708 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.15 4.13 6.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 123.214 2.609 . . . . 0.0 112.27 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.55 -16.5 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 0.0 110.207 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.417 ' NH1' HG13 ' A' 1109 ' ' ILE . 10.2 ttm180 -99.19 92.46 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.51 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 30.8 mtmm -126.85 176.43 7.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.358 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.83 -166.21 29.28 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.994 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.1 m -88.1 143.33 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.47 . . . . 0.0 110.431 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.503 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.3 p90 -140.85 134.82 15.06 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.527 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.597 ' HA ' ' O ' ' A' 1103 ' ' GLU . 19.8 Cg_endo -64.37 124.82 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.64 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 16.2 t -61.58 -28.74 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.806 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 m -75.75 7.86 3.49 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.95 -2.2 14.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.2 m -124.69 151.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.252 0.548 . . . . 0.0 112.111 -172.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.47 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.88 101.4 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.824 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.582 HG12 HG12 ' A' 1072 ' ' VAL . 65.6 mt -66.76 139.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -170.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' 1073 ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.348 172.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' HG21 ' A' 1096 ' ' VAL . 4.3 ttm180 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.899 0.381 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -126.94 158.05 37.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.598 HG12 HG12 ' A' 1126 ' ' ILE . 33.8 m -133.17 146.15 32.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.812 0.339 . . . . 0.0 110.389 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 17.1 tptp -110.58 100.8 9.53 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.598 HG22 HG12 ' A' 1124 ' ' VAL . 74.5 p -53.87 124.85 16.55 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.374 0.607 . . . . 0.0 111.8 -174.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.445 HG13 ' CD1' ' A' 1076 ' ' TYR . 2.1 pt -108.09 1.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.134 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' 1123 ' ' PHE . 74.8 m-85 -133.97 152.93 52.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.079 177.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.44 130.37 35.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.253 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.9 t -131.08 117.51 19.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.789 0.328 . . . . 0.0 110.387 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.554 ' HA ' HG23 ' A' 1087 ' ' THR . 11.2 pt20 -109.84 99.11 8.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.441 0.638 . . . . 0.0 110.15 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.45 141.8 58.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.996 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.12 -33.99 12.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.423 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -108.49 150.24 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.385 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.44 -8.26 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.091 0.472 . . . . 0.0 110.848 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' 1118 ' ' VAL . 19.5 m-20 -71.47 -21.34 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.558 0.694 . . . . 0.0 109.15 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 28.7 mt-10 -102.94 163.17 12.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.298 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.45 HD23 HD13 ' A' 1094 ' ' ILE . 63.0 tp -109.73 143.96 38.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.367 0.604 . . . . 0.0 111.952 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.554 HG23 ' HA ' ' A' 1079 ' ' GLN . 90.9 m -106.34 131.43 53.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.906 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.4 p90 -161.5 162.4 30.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.895 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.644 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.49 167.64 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.496 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.85 118.32 4.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.756 0.312 . . . . 0.0 110.425 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.61 -4.43 13.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.024 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.486 ' HG2' HD13 ' A' 1089 ' ' ILE . 8.7 mm-40 -78.82 138.33 38.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.856 0.36 . . . . 0.0 110.625 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 39.2 t -91.79 126.89 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.65 HG12 HD13 ' A' 1109 ' ' ILE . 48.2 mt -119.79 129.08 75.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 26.5 mt -93.12 120.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' 1070 ' ' ARG . 93.7 t -69.28 111.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.424 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 74.9 p -108.51 -17.54 13.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.575 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.03 176.82 37.59 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.836 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -146.38 131.74 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -106.18 -48.37 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 22.1 t70 -136.49 -173.53 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.291 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.54 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 17.7 pt20 -70.65 -33.14 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.246 -177.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.54 ' HG2' ' HG3' ' A' 1102 ' ' GLN . 3.3 pt-20 -124.54 20.45 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.526 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.512 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 91.2 m95 -137.73 104.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.389 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.502 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.5 m0 -113.21 167.28 10.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.242 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.44 136.89 49.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -164.89 -166.73 24.33 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 119.705 -1.236 . . . . 0.0 112.439 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.454 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.8 p-80 -140.03 150.4 44.35 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.65 HD13 HG12 ' A' 1094 ' ' ILE . 28.0 mm -69.8 126.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.089 0.471 . . . . 0.0 110.216 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.543 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 14.9 tt0 -72.86 123.34 23.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.27 -11.49 68.96 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.665 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.97 72.5 8.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -13.47 40.06 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.236 2.624 . . . . 0.0 113.216 -172.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.27 -6.18 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.461 ' NH1' HG13 ' A' 1109 ' ' ILE . 13.1 ttm180 -106.41 95.37 5.71 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 7.5 mtmp? -121.66 177.19 5.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.797 0.332 . . . . 0.0 110.771 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.59 -169.37 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.078 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.8 m -85.14 142.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.227 0.537 . . . . 0.0 110.784 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.464 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.7 p90 -137.53 134.78 18.63 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.07 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.25 124.23 12.65 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.57 2.18 . . . . 0.0 111.387 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.469 HG23 ' C ' ' A' 1103 ' ' GLU . 12.3 t -67.42 -25.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.331 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 11.7 p -74.43 -7.93 54.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.777 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.597 ' HA ' ' CD1' ' A' 1076 ' ' TYR . 4.9 m-85 -103.7 1.27 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.021 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.598 HG12 HG22 ' A' 1074 ' ' THR . 24.5 m -128.33 158.27 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.411 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -118.34 102.61 9.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.598 HG12 HG12 ' A' 1072 ' ' VAL . 33.2 mt -66.97 143.39 15.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -169.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 4.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.051 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.586 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 ptp180 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.196 0.522 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -124.61 173.59 8.4 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 27.9 m -140.78 153.91 21.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.952 0.406 . . . . 0.0 110.092 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' 1093 ' ' VAL . 12.0 tppt? -113.61 113.87 25.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.497 HG22 HG12 ' A' 1124 ' ' VAL . 81.0 p -62.57 114.23 3.44 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 26.4 pt -95.99 -12.27 8.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.352 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' 1123 ' ' PHE . 42.0 m-85 -130.88 158.54 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.435 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 6.4 p-10 -91.99 134.29 34.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 0.0 110.094 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 42.7 t -121.91 112.72 18.65 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.886 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.79 97.18 10.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.443 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -52.83 129.98 31.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.228 -178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -95.95 -34.35 11.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.54 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' 1085 ' ' GLU . 48.3 t-20 -92.94 147.25 22.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.89 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.63 -21.68 61.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.209 0.528 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.28 3.42 54.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.852 0.834 . . . . 0.0 109.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' A' 1082 ' ' ASN . 20.0 tt0 -101.28 167.62 10.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.599 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' 1115 ' ' ARG . 50.4 tp -112.38 140.62 46.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.356 0.598 . . . . 0.0 112.269 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.7 m -103.2 126.05 50.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.58 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 25.6 p90 -157.84 166.12 33.51 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.035 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.643 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.65 168.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 2.9 mp0 -56.6 119.33 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.38 -2.92 13.99 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.821 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.45 142.84 28.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.994 0.425 . . . . 0.0 110.684 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' 1073 ' ' LYS . 47.3 t -99.2 125.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.552 HG12 HD13 ' A' 1109 ' ' ILE . 64.0 mt -113.11 133.27 59.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.486 HD11 ' OE2' ' A' 1110 ' ' GLU . 8.4 mt -93.18 117.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.586 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 60.5 t -70.28 110.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.571 -177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 45.0 p -111.05 -1.25 16.35 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.916 -175.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.65 165.6 38.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.579 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -136.13 120.67 18.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.933 0.397 . . . . 0.0 110.272 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.43 ' HG2' HG13 ' A' 1106 ' ' ILE . 17.7 mm-40 -95.03 -48.03 6.14 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.421 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.3 t70 -138.58 -165.04 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.236 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.439 ' H ' ' CG ' ' A' 1101 ' ' ASP . 37.0 mt-30 -80.67 -33.35 35.62 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.343 0.592 . . . . 0.0 109.547 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -115.98 11.52 15.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.803 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.8 m95 -135.35 110.76 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.715 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.4 m0 -116.48 167.21 11.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.43 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.1 mt -114.1 135.06 55.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.8 -178.01 41.14 Favored Glycine 0 N--CA 1.437 -1.272 0 C-N-CA 119.826 -1.178 . . . . 0.0 112.402 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.3 p-80 -133.39 148.71 51.83 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.483 -0.359 . . . . 0.0 110.548 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.552 HD13 HG12 ' A' 1094 ' ' ILE . 25.6 mm -62.07 124.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.486 ' OE2' HD11 ' A' 1095 ' ' ILE . 4.6 tp10 -61.51 127.42 31.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.279 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.37 -21.28 45.19 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.683 -176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.7 tp60 -141.75 88.08 9.74 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.19 -4.94 14.66 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.956 2.438 . . . . 0.0 112.565 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -67.14 -31.21 71.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.535 0.683 . . . . 0.0 109.332 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.624 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.6 mtt180 -98.74 97.2 8.47 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.591 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 48.5 pttt -148.27 162.37 39.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.099 0.476 . . . . 0.0 112.237 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.38 -154.06 25.24 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.809 -176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.6 m -88.48 142.4 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 117.218 0.509 . . . . 0.0 111.209 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.477 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.2 p90 -142.14 135.89 14.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.2 Cg_endo -67.82 123.25 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.79 2.326 . . . . 0.0 111.984 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' 1124 ' ' VAL . 19.6 t -65.27 -21.62 29.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.916 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 21.9 t -68.98 -10.57 58.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.691 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.443 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.4 m-85 -106.56 0.43 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.661 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.7 m -136.01 152.1 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.998 0.427 . . . . 0.0 112.012 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.58 119.78 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.589 HG13 HG12 ' A' 1072 ' ' VAL . 5.2 mp -72.93 132.51 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.349 0.595 . . . . 0.0 111.861 -172.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.102 -0.953 . . . . 0.0 108.632 175.722 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.516 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 9.7 tpt180 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1071 ' ' ARG . 44.0 mtt85 -120.07 154.51 34.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 36.0 m -137.21 162.83 33.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' 1093 ' ' VAL . 74.0 tttt -138.47 118.35 13.28 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' 1088 ' ' PHE . 60.0 p -57.74 119.39 6.56 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.956 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' 1125 ' ' HIS . 3.5 pt -104.94 -3.64 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.244 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -138.57 151.25 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.052 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.33 129.99 36.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 46.7 t -126.47 123.69 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.488 . . . . 0.0 110.061 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -105.57 99.36 8.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.062 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.68 112.62 2.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.458 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.382 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' 1084 ' ' ASP . 33.0 t30 -107.18 145.86 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.539 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.28 -12.37 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 111.424 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 8.1 m-20 -75.28 -21.74 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.395 0.617 . . . . 0.0 109.47 173.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 65.8 mt-10 -87.1 155.13 20.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.423 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' 1115 ' ' ARG . 59.0 tp -95.01 142.61 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.093 0.473 . . . . 0.0 110.81 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.4 m -107.23 123.87 48.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.486 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' 1074 ' ' THR . 12.5 p90 -150.15 158.37 44.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.623 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.01 165.92 12.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.85 115.04 1.96 Allowed 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.238 0.336 . . . . 0.0 110.921 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.14 6.04 11.19 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.372 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.409 ' HB3' HD12 ' A' 1109 ' ' ILE . 41.5 mt-10 -95.51 130.83 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.231 0.515 . . . . 0.0 109.63 173.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' 1073 ' ' LYS . 99.2 t -89.92 132.98 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.689 HG12 HD13 ' A' 1109 ' ' ILE . 51.7 mt -117.79 132.33 67.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.727 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.424 HG13 ' HG2' ' A' 1110 ' ' GLU . 25.6 mt -93.34 118.15 38.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.516 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 42.7 t -70.91 109.4 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.089 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 66.9 p -97.07 -5.57 37.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.108 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -174.24 167.63 40.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.894 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.453 ' HG2' ' CG ' ' A' 1105 ' ' TRP . 42.4 mt-10 -137.08 117.62 13.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.184 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.39 -54.43 3.92 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.446 0.641 . . . . 0.0 110.242 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 7.2 t70 -129.35 -166.15 1.61 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.441 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -78.44 -36.53 45.39 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.274 0.559 . . . . 0.0 109.795 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.585 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.0 pt-20 -115.46 13.57 16.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.848 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.585 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 96.6 m95 -138.03 104.49 5.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.43 0.633 . . . . 0.0 111.052 -176.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.1 m0 -113.42 168.43 9.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.416 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.3 mt -118.97 137.16 53.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.478 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.31 -168.37 33.64 Favored Glycine 0 N--CA 1.437 -1.285 0 C-N-CA 119.817 -1.183 . . . . 0.0 112.419 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.405 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -135.68 152.66 51.4 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 124.027 0.486 . . . . 0.0 109.965 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.689 HD13 HG12 ' A' 1094 ' ' ILE . 24.5 mm -74.52 133.83 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.424 ' HG2' HG13 ' A' 1095 ' ' ILE . 7.7 mm-40 -68.97 135.3 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.582 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 81.17 -17.65 12.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.631 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -136.0 67.67 63.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.35 -5.79 15.88 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.968 2.445 . . . . 0.0 112.308 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.84 -10.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.992 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.581 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.9 mtt180 -99.98 96.39 7.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.861 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.405 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.9 mtmt -128.28 177.23 7.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.551 175.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 139.97 -165.3 25.97 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.906 173.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' 1105 ' ' TRP . 29.8 m -88.56 136.88 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 0.0 110.33 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.478 ' HE1' ' N ' ' A' 1107 ' ' GLY . 26.4 p90 -134.66 139.52 32.72 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.476 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.571 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.3 Cg_endo -69.64 122.81 9.52 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.586 2.19 . . . . 0.0 111.993 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.466 ' HA ' HG22 ' A' 1124 ' ' VAL . 38.3 t -64.34 -24.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.485 -175.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 -5.7 28.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.603 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -111.9 2.78 17.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.395 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.7 m -125.75 150.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.485 0.66 . . . . 0.0 112.292 -173.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.6 t60 -108.0 111.55 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.236 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.525 HG12 HG12 ' A' 1072 ' ' VAL . 45.7 mt -70.75 144.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.587 0.232 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.588 ' HG3' HG12 ' A' 1095 ' ' ILE . 5.9 mpt_? -119.83 154.62 34.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.464 . . . . 0.0 109.948 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -133.36 138.34 51.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.6 tmtt? -111.08 106.21 15.19 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.532 HG21 ' CD1' ' A' 1088 ' ' PHE . 69.6 p -56.69 126.25 25.95 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.908 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' 1125 ' ' HIS . 8.7 pt -111.87 1.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.227 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -137.77 140.12 40.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.833 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.23 134.35 37.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.188 0.518 . . . . 0.0 109.894 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 35.7 t -120.02 94.13 4.29 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.763 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -84.55 88.34 7.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.94 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.78 129.63 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.187 -174.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.42 -28.79 20.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.481 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -103.76 142.63 34.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.531 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.06 -17.75 63.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.85 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.89 -29.36 62.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.026 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.566 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 48.0 mt-10 -79.05 147.59 32.77 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.703 177.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.8 142.79 31.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.577 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.5 m -106.99 124.18 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.57 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.532 ' CD1' HG21 ' A' 1074 ' ' THR . 25.6 p90 -155.09 161.83 41.18 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 -178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.03 171.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.604 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.09 118.98 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.91 -4.26 14.3 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.253 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.74 129.55 34.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 110.27 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' 1073 ' ' LYS . 98.6 t -92.66 118.28 37.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.574 HG12 HD13 ' A' 1109 ' ' ILE . 42.3 mt -108.54 132.28 56.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.653 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.588 HG12 ' HG3' ' A' 1071 ' ' ARG . 19.8 mt -95.02 120.44 44.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.828 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 80.6 t -69.34 110.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.574 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 80.1 p -106.6 -15.76 14.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.365 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -155.92 174.12 33.88 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.709 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.99 133.16 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.839 0.319 . . . . 0.0 110.637 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.45 -45.24 4.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.267 0.556 . . . . 0.0 109.948 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.86 -171.11 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.9 -18.26 47.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.502 0.592 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.672 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.9 pt-20 -116.51 9.78 14.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.044 0.45 . . . . 0.0 110.328 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.672 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.7 m95 -141.04 104.56 4.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.31 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 51.5 m0 -112.51 164.35 13.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.814 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.14 136.67 51.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.457 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -166.79 -165.3 23.95 Favored Glycine 0 N--CA 1.437 -1.254 0 C-N-CA 119.443 -1.361 . . . . 0.0 112.413 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.433 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -138.78 151.96 47.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -177.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.574 HD13 HG12 ' A' 1094 ' ' ILE . 36.3 mm -75.38 127.6 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.12 128.87 38.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.5 -22.14 40.57 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.206 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -141.56 75.31 22.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.3 11.72 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.079 2.519 . . . . 0.0 113.218 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -92.27 -26.8 17.97 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -84.77 87.93 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.433 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 31.3 mtmt -122.44 177.53 5.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.212 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 145.51 -161.52 28.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.292 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 16.3 m -90.16 138.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 110.352 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.457 ' HE1' ' N ' ' A' 1107 ' ' GLY . 32.4 p90 -138.8 134.77 17.27 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.563 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' 1103 ' ' GLU . 22.0 Cg_endo -65.95 122.13 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.508 2.139 . . . . 0.0 111.965 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.67 -21.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.968 -175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.6 m -72.56 -2.6 20.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.42 -0.35 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.754 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.1 m -122.72 147.61 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.413 0.625 . . . . 0.0 112.085 -172.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -98.21 100.75 12.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.027 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.493 HG12 HG12 ' A' 1072 ' ' VAL . 52.6 mt -72.88 144.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.109 0.481 . . . . 0.0 112.042 -169.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' 1071 ' ' ARG . 3.2 mt . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.534 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 40.0 ttm180 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.308 0.575 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.06 168.14 11.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 174.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -139.08 162.41 27.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 76.1 tttt -138.64 115.43 10.73 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.541 HG21 ' CD1' ' A' 1088 ' ' PHE . 70.1 p -59.42 124.75 21.05 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.088 -171.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' 1125 ' ' HIS . 15.8 pt -105.2 -1.15 9.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.282 0.563 . . . . 0.0 110.106 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.443 ' CD2' HG13 ' A' 1075 ' ' ILE . 86.8 m-85 -139.79 158.73 43.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.413 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 5.9 p-10 -90.39 140.25 29.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.302 0.573 . . . . 0.0 110.343 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 31.2 t -125.08 116.9 22.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.581 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.504 ' HA ' HG23 ' A' 1087 ' ' THR . 97.3 mt-30 -100.2 94.06 6.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.89 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.56 116.85 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.488 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -94.76 1.46 55.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.699 . . . . 0.0 109.664 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.659 ' HB3' ' HG2' ' A' 1085 ' ' GLU . 18.7 t30 -130.17 134.41 47.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -13.52 62.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.886 0.374 . . . . 0.0 111.644 -171.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.52 -17.61 47.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.659 ' HG2' ' HB3' ' A' 1082 ' ' ASN . 6.6 mm-40 -81.43 -169.66 2.4 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' 1115 ' ' ARG . 58.5 tp -130.75 141.07 50.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.99 0.424 . . . . 0.0 111.254 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.504 HG23 ' HA ' ' A' 1079 ' ' GLN . 5.5 m -103.48 123.43 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.811 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.541 ' CD1' HG21 ' A' 1074 ' ' THR . 15.2 p90 -153.61 165.55 35.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.26 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.0 167.78 16.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 1.5 mp0 -54.75 117.91 3.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.252 0.345 . . . . 0.0 110.82 -178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.8 -2.28 13.47 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.091 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -84.12 131.18 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.941 0.371 . . . . 0.0 110.455 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 94.3 t -87.55 135.47 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.549 HG12 HD13 ' A' 1109 ' ' ILE . 66.6 mt -129.5 138.82 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.5 mt -99.56 122.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 88.1 t -71.59 112.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.072 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 62.4 p -105.88 -17.6 14.31 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.88 178.01 38.75 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.18 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -137.58 134.02 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.674 0.274 . . . . 0.0 110.929 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -107.71 -50.7 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.26 0.552 . . . . 0.0 110.307 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -139.07 -179.83 6.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.904 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -77.19 -15.99 59.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 0.0 110.339 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.643 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.0 pt-20 -122.46 9.5 9.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.753 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.643 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 90.3 m95 -139.93 108.32 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.757 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.534 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 49.4 m0 -110.79 168.34 9.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.134 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' 1117 ' ' GLY . 81.9 mt -113.18 135.38 52.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.23 -177.87 42.04 Favored Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.613 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' 1113 ' ' PRO . 2.5 p-80 -132.57 150.8 52.1 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 123.651 0.265 . . . . 0.0 110.565 -176.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.549 HD13 HG12 ' A' 1094 ' ' ILE . 19.7 mm -58.95 124.91 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.546 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.58 129.44 39.87 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.47 -9.17 69.25 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.346 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -162.31 90.17 1.36 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.278 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1113 ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' 1108 ' ' HIS . 21.3 Cg_exo -65.6 -7.6 16.79 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.399 2.733 . . . . 0.0 112.603 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.06 -41.78 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.478 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' 1086 ' ' LEU . 36.0 mtt180 -86.08 89.57 7.86 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.776 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.482 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -138.77 166.65 23.86 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.545 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1117 ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 153.45 -151.57 23.31 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.4 m -92.82 140.39 16.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.013 0.435 . . . . 0.0 110.661 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.9 p90 -139.56 136.69 17.88 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.41 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.1 Cg_endo -65.51 123.61 11.68 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.731 2.287 . . . . 0.0 111.812 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' 1103 ' ' GLU . 12.5 t -65.01 -25.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.46 -175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.5 p -69.04 -16.28 63.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.2 m-85 -97.27 1.38 49.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.4 m -129.69 148.38 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.489 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.0 OUTLIER -104.08 121.32 42.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.541 HG12 HG12 ' A' 1072 ' ' VAL . 70.5 mt -75.02 136.25 25.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.364 0.602 . . . . 0.0 112.278 -170.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' 1073 ' ' LYS . 3.2 mt . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 17.6 tpp85 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.741 0.782 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 65.9 mtt180 -126.13 169.51 12.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.8 m -139.84 144.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' 1127 ' ' LEU . 9.7 tptp -108.38 106.49 16.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1074 ' ' THR . . . . . . . . . . . . . 61.4 p -54.82 112.49 1.05 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.542 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.2 pt -102.52 5.33 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.53 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -145.08 139.96 27.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.141 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.39 118.63 11.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 173.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 41.4 t -117.22 107.21 14.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.147 0.498 . . . . 0.0 111.454 -177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -94.18 95.14 8.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.416 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -54.91 146.85 16.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.394 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.33 -35.05 12.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.486 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -114.07 158.43 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.87 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.0 -16.78 62.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.191 0.52 . . . . 0.0 110.091 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -67.73 -30.87 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.69 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.57 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 36.8 mt-10 -87.07 153.0 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 108.849 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.553 HD23 HD13 ' A' 1094 ' ' ILE . 45.0 tp -91.03 138.64 31.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.235 0.54 . . . . 0.0 111.146 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.5 m -104.83 120.4 41.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.349 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.673 ' HB3' HD11 ' A' 1109 ' ' ILE . 26.3 p90 -146.7 158.82 43.99 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.657 -175.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.683 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.45 157.97 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.305 0.574 . . . . 0.0 110.367 178.082 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.409 ' HG3' ' C ' ' A' 1075 ' ' ILE . 8.6 tt0 -58.66 116.71 3.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.62 -173.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.88 -3.02 14.8 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.029 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.86 159.76 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.651 0.738 . . . . 0.0 112.13 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.546 HG22 ' HE2' ' A' 1073 ' ' LYS . 39.9 t -98.44 126.32 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.224 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.624 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -114.11 129.05 70.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.4 121.36 47.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.557 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 78.6 t -72.27 112.98 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 124.044 0.84 . . . . 0.0 110.22 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 56.0 p -107.49 -2.6 20.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.354 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.45 174.17 46.67 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.887 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -140.71 136.8 32.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 -16.33 6.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 14.8 t70 -148.94 -170.74 3.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -92.64 -25.03 18.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 0.0 110.063 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.634 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.3 pt-20 -116.82 11.29 14.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 109.842 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.78 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 89.4 m95 -137.92 105.74 5.64 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.897 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.3 m0 -111.5 165.41 12.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.243 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.463 HG12 HG12 ' A' 1118 ' ' VAL . 98.8 mt -113.47 131.38 65.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.062 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.482 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.96 -176.17 40.01 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.9 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.6 p-80 -131.43 151.97 51.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.726 0.298 . . . . 0.0 110.989 -173.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' 1088 ' ' PHE . 23.7 mm -70.44 123.49 24.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.584 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.85 137.45 53.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.09 34.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.138 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -146.83 80.78 9.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.91 -5.05 12.48 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.89 2.393 . . . . 0.0 112.863 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -73.94 -28.01 61.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 109.861 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -94.35 92.03 6.98 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.569 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -139.99 161.96 36.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1117 ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 162.82 -152.52 22.73 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.463 HG12 HG12 ' A' 1106 ' ' ILE . 23.9 m -96.88 132.29 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.327 0.584 . . . . 0.0 110.786 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.486 ' HZ ' HG22 ' A' 1096 ' ' VAL . 25.8 p90 -129.62 140.78 39.67 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.26 122.23 9.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.671 2.247 . . . . 0.0 111.752 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 12.1 t -67.71 -23.24 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.746 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 14.0 t -79.31 11.05 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -121.29 0.52 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 28.1 m -129.31 162.12 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 0.0 111.557 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.451 ' HB2' HG23 ' A' 1075 ' ' ILE . 3.2 t60 -117.32 103.84 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.533 HG12 HG12 ' A' 1072 ' ' VAL . 68.0 mt -62.15 132.44 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -169.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' 1073 ' ' LYS . 11.6 mt . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.841 -1.072 . . . . 0.0 108.294 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.509 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 7.2 tpt180 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.598 0.237 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 72.3 mtm-85 -131.33 157.15 44.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.0 m -131.13 150.42 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.025 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' 1127 ' ' LEU . 18.3 tptm -116.21 102.84 9.94 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.548 HG22 HG12 ' A' 1124 ' ' VAL . 68.2 p -53.97 132.4 42.16 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.025 0.441 . . . . 0.0 111.462 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.8 pt -118.97 -6.45 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' 1075 ' ' ILE . 96.0 m-85 -133.14 143.61 49.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.953 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.03 132.33 51.6 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.933 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 50.7 t -133.38 94.43 3.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 110.318 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.575 ' HA ' HG23 ' A' 1087 ' ' THR . 6.8 pt20 -92.75 95.11 9.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.625 0.726 . . . . 0.0 109.881 176.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.8 141.65 37.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.027 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.4 -34.18 10.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.509 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.526 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 10.7 m120 -90.14 159.74 16.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.31 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.08 -23.99 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.472 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.76 -23.1 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.795 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.526 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 62.0 mt-10 -75.58 145.8 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.61 HD21 HG12 ' A' 1109 ' ' ILE . 53.9 tp -91.62 141.6 28.53 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.282 0.563 . . . . 0.0 111.167 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.575 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.5 m -101.46 123.15 45.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.688 176.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -154.62 162.03 41.32 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.7 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.0 166.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.02 119.01 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.16 0.288 . . . . 0.0 110.623 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.99 -0.59 14.88 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.536 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.411 ' HG2' HD13 ' A' 1089 ' ' ILE . 10.1 mm-40 -84.6 136.07 33.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 110.711 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 28.7 t -91.77 124.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.448 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.565 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -116.8 129.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.98 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1071 ' ' ARG . 24.7 mt -91.53 119.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.509 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 59.6 t -69.99 113.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.408 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 57.5 p -108.24 -7.84 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.97 172.08 41.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -141.28 129.15 21.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 110.21 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -104.29 -54.14 2.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.901 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' 1102 ' ' GLN . 13.3 t70 -136.73 -167.48 2.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.72 -172.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.422 ' H ' ' CG ' ' A' 1101 ' ' ASP . 4.6 tp-100 -72.21 -38.34 69.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 0.0 109.729 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' 1120 ' ' PRO . 5.3 pt-20 -120.92 18.9 11.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.773 -174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 85.8 m95 -141.5 108.96 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.6 m0 -114.45 174.91 5.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.405 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.85 136.64 57.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -169.56 -166.37 28.46 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.577 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.55 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.5 OUTLIER -134.33 154.93 51.05 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.602 0.236 . . . . 0.0 110.387 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.61 HG12 HD21 ' A' 1086 ' ' LEU . 21.9 mm -75.15 132.39 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.43 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.47 ' HG2' HG13 ' A' 1095 ' ' ILE . 6.0 mm-40 -72.33 132.88 44.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.71 -34.01 4.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.589 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -134.79 72.78 68.21 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.03 -3.46 13.68 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 123.404 2.736 . . . . 0.0 112.99 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -81.08 -14.27 57.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.142 0.496 . . . . 0.0 110.16 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 33.9 mtt-85 -86.93 94.58 9.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.55 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.4 mtmp? -126.83 166.93 16.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.003 0.43 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.02 -157.73 27.44 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.015 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.0 m -89.24 140.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.07 0.462 . . . . 0.0 110.772 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 29.8 p90 -139.44 136.85 18.14 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.061 178.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.8 Cg_endo -66.88 122.07 9.36 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.447 ' HA ' HG22 ' A' 1124 ' ' VAL . 42.4 t -65.31 -28.23 43.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.005 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.9 m -66.53 -16.51 64.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.789 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.6 m-85 -99.58 2.9 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.493 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 26.7 m -127.74 157.44 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 0.0 111.945 -175.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -115.53 101.1 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 66.4 mt -61.63 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.313 0.577 . . . . 0.0 112.479 -172.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.1 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.526 HH11 HG11 ' A' 1096 ' ' VAL . 41.6 ttm180 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 121.008 0.433 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -127.74 148.63 50.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 HG12 ' A' 1126 ' ' ILE . 32.6 m -132.06 152.64 37.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' 1127 ' ' LEU . 14.7 tptp -118.92 104.14 10.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.436 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.559 HG22 HG12 ' A' 1124 ' ' VAL . 70.9 p -54.55 133.13 46.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.966 -175.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 12.4 pt -120.22 6.03 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.151 0.5 . . . . 0.0 111.025 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.535 ' N ' ' HB3' ' A' 1090 ' ' GLU . 79.3 m-85 -147.12 149.99 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.046 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.26 136.69 37.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 20.7 t -130.48 108.08 9.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -93.41 94.4 8.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.558 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -40.67 126.72 2.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 113.196 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -100.05 -30.21 12.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.587 ' HB2' ' HB2' ' A' 1085 ' ' GLU . 80.1 m-20 -94.35 148.81 21.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.397 175.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -11.3 60.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -103.79 5.45 36.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.93 . . . . 0.0 109.374 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.587 ' HB2' ' HB2' ' A' 1082 ' ' ASN . 30.5 tt0 -92.14 169.91 10.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.814 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.764 HD21 HG12 ' A' 1109 ' ' ILE . 54.9 tp -116.03 142.26 47.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.949 0.404 . . . . 0.0 111.262 -178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 8.2 m -102.06 124.13 47.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' 1074 ' ' THR . 29.5 p90 -151.17 162.21 41.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.125 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.97 155.48 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.213 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.535 ' HB3' ' N ' ' A' 1076 ' ' TYR . 2.1 pp20? -63.79 126.91 29.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.853 0.835 . . . . 0.0 111.082 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.68 -5.95 14.16 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.747 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.94 151.1 20.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.487 HG22 ' HE2' ' A' 1073 ' ' LYS . 20.1 t -95.33 126.62 47.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.306 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.59 HG12 HD13 ' A' 1109 ' ' ILE . 55.6 mt -116.15 131.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 28.0 mt -96.84 120.89 46.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.526 HG11 HH11 ' A' 1070 ' ' ARG . 44.6 t -73.23 111.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.406 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.416 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 59.2 p -106.7 -6.14 18.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.93 171.83 44.69 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.267 -0.492 . . . . 0.0 111.995 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -134.87 126.39 28.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.457 ' OE1' HG11 ' A' 1118 ' ' VAL . 1.9 pt-20 -113.21 -12.2 13.14 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.695 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.0 t70 -159.23 -173.65 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.28 -38.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.552 0.615 . . . . 0.0 110.036 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.1 pt-20 -112.46 16.07 19.98 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.722 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 81.9 m95 -138.09 104.6 5.27 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.627 0.727 . . . . 0.0 110.429 178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' 1118 ' ' VAL . 52.0 m0 -113.9 167.96 10.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.169 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.403 HG12 HG12 ' A' 1118 ' ' VAL . 91.1 mt -113.19 135.2 53.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.416 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -166.39 -164.75 22.54 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.094 -1.051 . . . . 0.0 112.041 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 1.7 p-80 -141.18 149.01 40.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.764 HG12 HD21 ' A' 1086 ' ' LEU . 17.7 mm -68.39 125.45 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.455 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 9.8 tp10 -70.81 130.05 40.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.95 11.21 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.18 -172.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -132.64 78.8 66.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.06 -11.78 33.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 123.202 2.601 . . . . 0.0 113.075 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -77.56 -20.59 53.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.422 0.629 . . . . 0.0 109.947 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.455 ' HB3' HD11 ' A' 1086 ' ' LEU . 14.6 mmt180 -86.72 86.83 7.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.482 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 18.1 mtmm -125.98 171.9 10.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.409 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.4 -164.42 27.68 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.344 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.3 m -88.27 140.85 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.203 0.525 . . . . 0.0 110.795 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.445 ' HZ ' HG22 ' A' 1096 ' ' VAL . 27.6 p90 -138.46 139.73 25.79 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.4 Cg_endo -67.54 117.28 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.617 2.211 . . . . 0.0 111.971 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.4 ' HA ' HG22 ' A' 1124 ' ' VAL . 30.9 t -64.69 -27.82 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.098 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.0 m -65.76 -13.53 59.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 5.3 m-85 -102.35 1.73 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.2 m -124.65 156.03 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.802 0.334 . . . . 0.0 111.339 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.88 105.76 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.586 HG12 HG12 ' A' 1072 ' ' VAL . 39.8 mt -67.63 137.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.161 0.505 . . . . 0.0 111.831 -171.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.8 mt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.791 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.625 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 mtt180 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.168 0.509 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 82.7 mtt85 -129.8 161.16 31.39 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 175.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.6 m -142.49 144.5 24.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -114.33 115.51 27.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.135 0.493 . . . . 0.0 109.757 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' 1088 ' ' PHE . 82.3 p -56.18 111.54 0.99 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.997 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.502 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.7 pt -101.35 3.9 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.445 0.641 . . . . 0.0 109.853 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' 1123 ' ' PHE . 94.8 m-85 -137.62 138.46 39.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.793 176.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.33 128.09 35.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.411 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' 1088 ' ' PHE . 53.6 t -127.77 93.65 3.75 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.022 0.439 . . . . 0.0 110.738 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -89.13 89.02 7.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.119 0.485 . . . . 0.0 109.723 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -49.87 141.95 9.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.526 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.05 -32.02 12.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.412 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.29 150.68 35.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.58 -5.4 45.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.09 0.471 . . . . 0.0 110.812 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.41 -27.23 56.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.759 0.79 . . . . 0.0 109.276 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 25.9 mt-10 -87.04 147.24 25.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.79 139.07 32.21 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.705 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 4.9 m -102.22 124.77 48.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.51 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' 1074 ' ' THR . 14.7 p90 -157.92 163.97 37.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.087 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.684 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.12 166.19 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -53.71 120.73 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.228 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.15 -4.73 15.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.796 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' 1089 ' ' ILE . 24.3 mm-40 -82.12 131.07 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.068 0.461 . . . . 0.0 110.555 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 99.0 t -87.74 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.548 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 72.9 mt -121.43 135.06 62.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' 1110 ' ' GLU . 6.7 mt -94.75 119.24 42.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.625 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 40.4 t -71.39 112.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.487 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.539 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 65.2 p -100.55 -20.38 15.73 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.07 176.23 40.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.71 138.06 45.61 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.434 ' OE1' HG11 ' A' 1118 ' ' VAL . 4.5 pt-20 -113.71 -31.06 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.34 0.59 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 18.5 t70 -140.7 -179.64 6.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.0 -26.42 36.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.096 0.474 . . . . 0.0 110.164 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.2 pt-20 -115.01 10.45 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.258 0.551 . . . . 0.0 110.46 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.787 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 90.5 m95 -137.16 109.98 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.777 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.5 m0 -112.05 166.03 11.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.536 HG12 HG12 ' A' 1118 ' ' VAL . 97.1 mt -121.77 137.44 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.049 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.539 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.97 -158.14 15.43 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 119.739 -1.219 . . . . 0.0 112.162 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.489 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.5 p-80 -145.39 148.65 33.57 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' 1115 ' ' ARG . 1.0 OUTLIER -67.13 124.82 23.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.712 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.462 ' HB2' HG13 ' A' 1095 ' ' ILE . 7.7 tt0 -61.58 118.76 7.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.479 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.63 -22.75 37.34 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.243 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -124.8 81.0 61.97 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 109.946 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.98 -4.89 16.15 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.297 2.665 . . . . 0.0 113.196 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -86.33 1.65 50.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.542 0.687 . . . . 0.0 110.017 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.576 ' HB3' HG13 ' A' 1109 ' ' ILE . 8.1 mmt85 -120.46 86.64 2.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.405 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 26.8 mtmt -118.46 177.16 4.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 143.5 -161.6 27.69 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.789 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.536 HG12 HG12 ' A' 1106 ' ' ILE . 14.6 m -98.22 144.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.851 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.422 ' CE2' HG21 ' A' 1072 ' ' VAL . 18.1 p90 -140.27 133.97 15.27 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 125.47 14.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.574 2.182 . . . . 0.0 111.346 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.424 HG23 ' C ' ' A' 1103 ' ' GLU . 13.7 t -64.86 -27.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.576 -173.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 t -76.05 -7.62 55.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.664 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.526 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 6.3 m-85 -97.25 -0.49 46.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.476 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 35.4 m -130.96 153.76 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 112.18 -174.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.437 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.54 106.43 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.885 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.573 HG12 HG12 ' A' 1072 ' ' VAL . 51.3 mt -70.03 143.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' 1071 ' ' ARG . 9.1 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.218 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.463 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 tpt180 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -126.36 173.2 9.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.9 m -141.72 147.63 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.569 ' HE2' ' HA2' ' A' 1091 ' ' GLY . 22.5 tptm -113.15 104.54 12.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.551 HG22 HG12 ' A' 1124 ' ' VAL . 72.3 p -54.63 123.15 12.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.101 0.477 . . . . 0.0 111.57 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' 1076 ' ' TYR . 6.4 pt -107.82 -3.56 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.439 ' CD2' HG13 ' A' 1075 ' ' ILE . 81.3 m-85 -136.0 151.82 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.76 123.3 25.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.683 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.463 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.2 t -125.21 103.36 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.055 0.455 . . . . 0.0 110.196 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' 1087 ' ' THR . 75.2 mt-30 -95.96 95.29 8.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.707 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.21 130.76 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.294 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -83.92 -29.29 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.584 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -107.56 149.12 28.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.024 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.91 -8.06 55.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.208 0.528 . . . . 0.0 110.126 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.37 -22.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.217 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.561 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 29.8 mt-10 -102.15 153.15 20.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.622 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.463 HD23 HD13 ' A' 1094 ' ' ILE . 58.0 tp -90.91 139.88 30.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.342 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' 1079 ' ' GLN . 6.8 m -100.86 130.31 46.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.35 176.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 20.3 p90 -159.51 166.32 31.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 167.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.14 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.85 114.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.421 0.451 . . . . 0.0 110.875 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1091 ' ' GLY . . . . . 0.569 ' HA2' ' HE2' ' A' 1073 ' ' LYS . . . 118.24 5.88 12.67 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.003 -0.618 . . . . 0.0 113.152 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.471 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.0 mm-40 -89.11 143.82 26.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.0 110.545 175.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 47.4 t -102.06 125.77 56.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.824 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.614 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -118.74 138.31 49.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.734 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.611 HD13 ' CD2' ' A' 1108 ' ' HIS . 3.9 mp -93.4 122.54 44.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 62.1 t -69.16 108.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.44 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.1 p -112.72 1.72 15.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.644 -174.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.4 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.426 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -141.73 120.4 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.619 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.2 mm-40 -96.11 -43.08 7.91 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.564 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -148.43 -162.02 1.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.45 -31.17 24.73 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.641 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.4 pt-20 -110.37 11.26 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.078 0.466 . . . . 0.0 110.75 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.641 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.1 m95 -139.62 107.97 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.865 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -116.45 165.85 12.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.153 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' 1100 ' ' GLU . 80.3 mt -114.1 140.89 32.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.473 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -165.45 -174.98 35.62 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.557 -1.306 . . . . 0.0 112.804 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' 1095 ' ' ILE . 2.0 p-80 -136.86 146.39 45.52 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.614 HD13 HG12 ' A' 1094 ' ' ILE . 21.1 mm -67.06 135.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.574 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.499 ' HG2' HD11 ' A' 1095 ' ' ILE . 1.5 mm-40 -53.15 115.99 2.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 175.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.97 -11.06 69.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.891 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -133.91 92.4 22.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.794 0.33 . . . . 0.0 111.308 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.83 0.42 6.48 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.857 2.371 . . . . 0.0 110.461 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.26 -36.08 22.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.028 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -90.55 90.97 8.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.173 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.505 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.4 mtmm -132.19 173.94 10.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.843 0.354 . . . . 0.0 110.605 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 142.07 -167.04 26.16 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.156 174.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.1 m -83.96 143.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' 1072 ' ' VAL . 31.7 p90 -144.59 134.33 11.62 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' 1103 ' ' GLU . 27.7 Cg_endo -65.06 124.63 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.72 2.28 . . . . 0.0 111.565 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.2 t -65.18 -25.07 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.576 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 33.0 t -75.88 -3.8 37.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.439 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 13.5 m-85 -102.66 0.59 33.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.2 m -132.37 159.7 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.218 -176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -116.36 108.1 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.57 HG12 HG12 ' A' 1072 ' ' VAL . 60.0 mt -65.77 141.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -168.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.449 -0.493 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.288 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.674 0.749 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' ' CZ3' ' A' 1105 ' ' TRP . 10.3 ptp85 -78.87 163.88 24.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.93 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.44 ' HG2' HG12 ' A' 1095 ' ' ILE . 50.2 mtt85 -119.02 146.72 44.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 HG12 ' A' 1126 ' ' ILE . 31.5 m -129.93 148.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.138 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' 1093 ' ' VAL . 18.0 tptp -117.36 103.11 9.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.628 HG22 HG12 ' A' 1124 ' ' VAL . 80.6 p -53.78 122.41 9.9 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.207 0.527 . . . . 0.0 111.829 -174.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1125 ' ' HIS . 10.6 pt -106.61 -3.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -139.12 148.36 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.205 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.26 136.83 36.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 33.8 t -124.37 103.96 8.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -89.63 90.28 8.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.867 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.85 151.71 38.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.384 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.4 -33.29 4.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.087 0.47 . . . . 0.0 110.154 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.8 150.5 20.59 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.4 -12.62 60.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.41 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.33 -27.33 47.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.869 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.626 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 43.2 mt-10 -81.49 151.9 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.312 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' 1115 ' ' ARG . 61.4 tp -96.07 140.7 30.41 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.646 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 2.3 m -106.24 122.33 46.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.644 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' 1074 ' ' THR . 21.9 p90 -152.19 165.22 35.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.221 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.86 171.66 12.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.587 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.28 116.39 3.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.31 -3.12 14.03 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.8 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.03 138.09 37.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.474 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 21.8 t -91.02 130.33 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 59.5 mt -123.44 130.49 74.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.501 HG13 ' HB2' ' A' 1110 ' ' GLU . 20.5 mt -94.61 116.61 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.48 HG22 ' HZ ' ' A' 1119 ' ' PHE . 91.8 t -69.17 117.69 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.936 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 70.4 p -112.09 -12.5 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.12 175.46 41.64 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -135.65 136.18 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.741 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -110.57 -50.45 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.66 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 38.2 t70 -143.5 -178.73 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.549 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.694 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 15.2 pt20 -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.097 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.707 ' O ' ' HA ' ' A' 1120 ' ' PRO . 29.5 mm-40 -107.97 4.21 24.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.381 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 92.7 m95 -138.81 103.85 4.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.297 0.57 . . . . 0.0 111.074 -172.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.487 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 46.1 m0 -111.36 167.36 10.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.825 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 1117 ' ' GLY . 92.8 mt -113.44 133.77 58.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.484 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.52 -174.13 39.59 Favored Glycine 0 N--CA 1.434 -1.475 0 C-N-CA 120.149 -1.024 . . . . 0.0 111.903 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.52 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.2 p-80 -134.4 151.03 50.95 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 123.75 0.323 . . . . 0.0 110.26 -175.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.611 HD13 HG12 ' A' 1094 ' ' ILE . 27.2 mm -65.31 121.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 12.8 tt0 -68.05 128.26 35.88 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.51 -13.85 65.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.958 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -154.32 78.52 5.19 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -71.25 -2.74 11.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.287 2.658 . . . . 0.0 113.353 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -82.87 -13.32 56.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.035 0.445 . . . . 0.0 110.472 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.495 ' HB3' HD11 ' A' 1086 ' ' LEU . 80.0 mtt180 -91.47 93.52 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 170.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.52 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.1 pttm -148.75 161.34 41.97 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1117 ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 154.88 -144.15 10.76 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.414 -1.075 . . . . 0.0 110.414 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 28.8 m -94.94 141.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 117.168 0.484 . . . . 0.0 110.571 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.484 ' HE1' ' N ' ' A' 1107 ' ' GLY . 34.3 p90 -142.18 140.22 19.03 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.707 ' HA ' ' O ' ' A' 1103 ' ' GLU . 36.5 Cg_endo -68.95 126.62 14.08 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.733 2.289 . . . . 0.0 112.621 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 23.0 t -71.26 -28.18 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.224 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 4.15 7.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -112.86 -0.54 14.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.628 HG12 HG22 ' A' 1074 ' ' THR . 28.0 m -124.61 155.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.802 0.334 . . . . 0.0 111.478 -175.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.509 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.9 t60 -108.27 106.2 16.25 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.6 HG12 HG12 ' A' 1072 ' ' VAL . 38.2 mt -76.73 134.01 29.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.603 0.716 . . . . 0.0 112.223 -170.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.0 OUTLIER -114.95 129.64 56.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.636 172.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 2.9 p -80.8 45.11 0.78 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.783 0.802 . . . . 0.0 109.532 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.251 1.138 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.951 -174.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' A' 1128 ' ' SER . 36.6 ttm180 -72.99 110.31 7.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 110.588 -177.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.47 152.74 31.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.5 m -128.94 154.58 40.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.3 tmtt? -128.19 113.99 16.41 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.504 HG22 HG12 ' A' 1124 ' ' VAL . 69.0 p -61.0 133.17 55.83 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.467 -170.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.578 HG23 ' HB2' ' A' 1125 ' ' HIS . 12.7 pt -112.14 -10.37 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' 1075 ' ' ILE . 68.2 m-85 -133.41 153.32 51.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 t70 -74.13 130.05 39.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 37.9 t -119.84 112.54 19.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -97.19 96.61 8.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.675 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.37 145.24 54.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.995 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.53 -34.11 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.274 0.559 . . . . 0.0 109.914 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.535 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 23.8 t30 -92.3 140.81 29.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.35 -11.37 60.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 111.137 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 1.7 m-20 -88.98 -4.13 58.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.691 174.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 60.3 mt-10 -94.63 153.04 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.5 tp -96.77 137.43 35.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.473 0.654 . . . . 0.0 111.309 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.0 m -105.54 123.65 48.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.814 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.446 ' CD1' HG21 ' A' 1074 ' ' THR . 22.9 p90 -151.82 159.69 43.8 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.432 -176.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.513 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.46 168.78 12.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.518 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.66 116.61 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.496 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1091 ' ' GLY . . . . . 0.512 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.05 3.95 12.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.423 -0.894 . . . . 0.0 113.142 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.88 136.95 36.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.235 0.517 . . . . 0.0 110.57 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.8 t -89.75 136.44 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.868 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.616 HG12 HD13 ' A' 1109 ' ' ILE . 55.2 mt -126.36 137.25 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.1 mt -100.73 120.55 50.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.403 HG22 ' HZ ' ' A' 1119 ' ' PHE . 98.1 t -69.77 113.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.43 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 66.8 p -109.0 -15.74 14.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.18 179.31 39.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.297 -0.477 . . . . 0.0 112.105 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -142.22 141.77 32.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.834 0.35 . . . . 0.0 110.764 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -110.16 -54.76 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.418 0.628 . . . . 0.0 110.087 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' 1102 ' ' GLN . 21.2 t70 -136.9 -173.13 3.36 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.355 -175.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.417 ' H ' ' CG ' ' A' 1101 ' ' ASP . 12.5 pt20 -75.4 -23.58 57.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.172 0.511 . . . . 0.0 110.176 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.42 13.48 11.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.791 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1104 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -141.8 106.48 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.604 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.1 m0 -111.78 167.43 10.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.6 mt -117.33 136.38 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.266 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.43 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.12 -162.33 23.28 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.146 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.469 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.3 p-80 -144.05 148.95 35.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.616 HD13 HG12 ' A' 1094 ' ' ILE . 24.4 mm -62.95 125.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.77 122.93 18.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.021 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.36 -31.64 7.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.019 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -118.07 81.57 16.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 110.139 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.92 1.09 8.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.617 2.211 . . . . 0.0 113.211 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -87.48 -13.15 43.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.253 0.549 . . . . 0.0 109.728 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.543 ' HD3' HG13 ' A' 1109 ' ' ILE . 38.8 mtt180 -98.76 90.65 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.113 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.3 mtmp? -131.33 166.61 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.56 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 146.31 -161.22 28.32 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.856 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.9 m -86.9 140.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.403 ' HZ ' HG22 ' A' 1096 ' ' VAL . 31.6 p90 -138.09 134.35 17.84 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.426 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.89 122.2 10.16 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.661 2.241 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -24.43 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.243 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.5 m -69.76 -9.35 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.78 0.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.764 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.4 m -125.29 147.02 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.132 0.491 . . . . 0.0 112.157 -173.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.578 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.2 t60 -107.48 113.84 27.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.325 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.589 HG12 HG12 ' A' 1072 ' ' VAL . 21.3 mt -81.24 138.01 20.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.271 0.558 . . . . 0.0 112.322 -168.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.7 OUTLIER -106.8 -51.6 2.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.435 178.41 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1128 ' ' SER . . . . . 0.695 ' HA ' ' HA ' ' A' 1070 ' ' ARG . 4.8 t 56.02 38.49 29.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.92 0.867 . . . . 0.0 109.613 -172.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.864 -179.169 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.418 ' HD2' HG11 ' A' 1096 ' ' VAL . 20.8 ttm180 -108.17 111.3 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 38.5 mtm180 -121.87 166.34 14.54 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.617 HG12 HD13 ' A' 1126 ' ' ILE . 35.9 m -138.95 160.96 29.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' 1127 ' ' LEU . 75.3 tttt -132.12 117.2 17.99 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.549 ' HA ' HG12 ' A' 1124 ' ' VAL . 50.3 p -63.44 132.31 50.99 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.531 -173.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 41.0 pt -115.48 -12.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -133.15 143.02 48.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.79 132.48 52.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.092 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.0 t -125.77 116.14 21.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -108.77 112.01 24.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.572 0.701 . . . . 0.0 110.127 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -61.46 124.25 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.756 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.65 -25.26 15.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.44 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 18.0 m120 -106.55 179.7 4.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.78 -42.56 49.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -92.01 0.56 57.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.382 0.61 . . . . 0.0 111.522 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 56.6 mt-10 -79.8 139.42 37.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.8 tp -87.62 140.59 29.36 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.4 m -101.83 126.51 48.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.107 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.468 ' CD1' HG21 ' A' 1074 ' ' THR . 16.5 p90 -156.05 157.89 36.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.552 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -114.67 160.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.507 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.85 117.54 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.328 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.76 -2.52 15.19 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.987 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.08 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.999 0.428 . . . . 0.0 109.851 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 72.8 t -93.27 129.46 43.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.172 0.511 . . . . 0.0 109.809 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.586 HG12 HD13 ' A' 1109 ' ' ILE . 62.9 mt -115.05 137.84 47.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.617 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.527 HD11 ' OE2' ' A' 1110 ' ' GLU . 9.8 mt -98.08 118.13 44.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.418 HG11 ' HD2' ' A' 1070 ' ' ARG . 52.8 t -69.98 111.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.386 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 60.7 p -113.85 -3.33 13.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.86 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.05 172.03 40.59 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.263 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -140.28 136.07 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.717 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.6 mm-40 -109.25 -48.87 3.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 110.757 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' 1102 ' ' GLN . 22.9 t70 -149.35 -163.94 1.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.038 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.9 tt0 -73.15 -34.13 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.407 0.622 . . . . 0.0 110.104 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' 1120 ' ' PRO . 4.7 pt-20 -122.99 14.84 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.988 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.3 m95 -136.61 110.72 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.231 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.0 m0 -114.92 171.06 7.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.871 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' 1100 ' ' GLU . 75.1 mt -119.13 136.36 56.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.558 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.14 -179.81 45.01 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 119.989 -1.101 . . . . 0.0 111.908 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.6 p-80 -127.46 153.51 46.2 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.814 0.361 . . . . 0.0 110.681 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.586 HD13 HG12 ' A' 1094 ' ' ILE . 33.5 mm -65.62 121.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.031 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.527 ' OE2' HD11 ' A' 1095 ' ' ILE . 5.4 tp10 -65.2 122.55 17.34 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.31 68.43 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.29 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -150.36 79.66 7.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -2.47 11.51 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.099 2.532 . . . . 0.0 114.931 -168.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -77.35 -34.27 55.18 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.533 ' HB3' HD11 ' A' 1086 ' ' LEU . 49.3 mtt180 -85.81 97.25 10.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.657 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 20.9 pttp -139.76 160.11 40.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.521 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.64 -157.53 29.25 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.6 m -86.78 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 0.0 110.86 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.558 ' HE1' ' N ' ' A' 1107 ' ' GLY . 33.3 p90 -139.9 137.36 18.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' 1103 ' ' GLU . 32.5 Cg_endo -67.49 122.91 10.18 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.833 2.355 . . . . 0.0 112.14 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 24.6 t -64.33 -28.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.29 -176.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 6.3 m -70.75 -16.99 62.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -93.52 3.39 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.382 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' 1074 ' ' THR . 32.7 m -134.23 165.11 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.074 0.464 . . . . 0.0 110.971 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.4 OUTLIER -106.82 161.84 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 167.485 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.617 HD13 HG12 ' A' 1072 ' ' VAL . 30.8 mm -97.89 142.3 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.785 0.326 . . . . 0.0 110.404 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.3 mt -119.77 126.81 51.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.72 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 t -92.86 8.57 39.03 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.425 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.954 0.407 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -126.64 124.55 40.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.92 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.596 ' HG2' HG12 ' A' 1095 ' ' ILE . 73.7 mtm180 -126.34 168.17 14.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.553 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 29.3 m -137.99 161.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.665 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.5 tmtt? -133.4 116.67 16.33 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.539 HG22 HG12 ' A' 1124 ' ' VAL . 80.4 p -64.58 129.79 41.18 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.908 -172.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.01 -3.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.043 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' A' 1090 ' ' GLU . 40.8 m-85 -138.98 156.92 46.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.422 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.17 130.47 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.252 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.588 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 12.4 t -139.99 94.83 2.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.345 0.593 . . . . 0.0 109.54 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.605 ' HA ' HG23 ' A' 1087 ' ' THR . 27.1 mt-30 -90.63 107.91 19.47 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.517 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -42.04 133.07 3.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.733 -177.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.15 -31.48 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.475 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -117.85 156.61 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.907 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.29 -20.26 66.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.354 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 7.1 m-20 -86.71 -12.64 47.72 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.997 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.472 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 70.8 mt-10 -87.81 153.72 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1115 ' ' ARG . 55.7 tp -97.72 143.03 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.288 0.566 . . . . 0.0 111.211 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.4 m -101.44 121.17 41.45 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.722 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 15.4 p90 -154.47 166.27 33.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.317 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 171.91 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' 1076 ' ' TYR . 26.5 mt-10 -56.44 113.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.382 0.427 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.87 4.34 12.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.305 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' 1089 ' ' ILE . 55.3 mm-40 -90.3 139.93 30.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.08 0.467 . . . . 0.0 110.813 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.9 t -102.16 130.89 51.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.838 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.626 HG12 HD13 ' A' 1109 ' ' ILE . 57.2 mt -121.24 139.0 49.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.998 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.596 HG12 ' HG2' ' A' 1071 ' ' ARG . 9.8 mt -93.5 124.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 60.7 t -71.54 110.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.972 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.586 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 68.6 p -114.29 -1.27 13.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.397 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.59 171.76 43.84 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.629 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -143.48 135.16 26.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.114 0.457 . . . . 0.0 110.659 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -114.94 -48.0 2.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.526 0.679 . . . . 0.0 110.49 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.611 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 25.8 t70 -135.42 -172.83 3.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.898 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.5 tt0 -77.14 -34.22 56.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.551 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.5 pt-20 -113.38 16.47 18.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.611 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 88.3 m95 -141.55 104.29 4.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.501 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.494 ' O ' ' HA ' ' A' 1118 ' ' VAL . 54.5 m0 -112.56 171.3 7.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.82 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 89.0 mt -116.33 138.75 45.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.586 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -174.2 -166.06 31.71 Favored Glycine 0 N--CA 1.433 -1.532 0 C-N-CA 119.708 -1.235 . . . . 0.0 112.462 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.488 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.1 p-80 -140.41 150.46 43.91 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.854 0.385 . . . . 0.0 110.307 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.626 HD13 HG12 ' A' 1094 ' ' ILE . 21.2 mm -68.44 127.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.479 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.498 ' HG2' HG13 ' A' 1095 ' ' ILE . 3.4 mm-40 -60.03 118.55 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.283 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.88 -13.64 67.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.199 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -132.69 78.66 66.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.61 -9.24 25.53 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.948 2.432 . . . . 0.0 112.558 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -78.76 -21.28 48.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.407 0.623 . . . . 0.0 109.559 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.548 ' HB3' HD11 ' A' 1086 ' ' LEU . 10.2 mmt180 -93.67 92.19 7.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.21 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.7 mtmt -131.69 175.88 8.81 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.543 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 137.92 -163.77 25.56 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.834 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' 1105 ' ' TRP . 22.4 m -86.29 137.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.161 0.505 . . . . 0.0 110.256 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 28.1 p90 -133.13 136.92 28.29 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.21 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.551 ' HA ' ' O ' ' A' 1103 ' ' GLU . 39.7 Cg_endo -69.41 119.53 6.48 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 111.786 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' 1124 ' ' VAL . 16.1 t -68.99 -21.25 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.318 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.0 p -72.21 -8.75 56.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.808 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.3 m-85 -107.95 6.7 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.602 HG22 ' HA ' ' A' 1121 ' ' VAL . 19.0 m -138.8 170.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.689 0.757 . . . . 0.0 112.094 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.2 OUTLIER -113.96 156.35 24.18 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.074 169.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.475 HG13 HG12 ' A' 1072 ' ' VAL . 2.9 mp -100.61 138.31 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' 1073 ' ' LYS . 7.2 mt -107.69 130.47 54.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.363 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 78.8 p -86.94 3.07 47.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.116 0.96 . . . . 0.0 108.826 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 113.898 -1.501 . . . . 0.0 109.747 -179.344 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.558 0.694 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.497 ' HD2' HG11 ' A' 1096 ' ' VAL . 40.0 ttm180 -131.69 115.1 15.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' 1095 ' ' ILE . 88.2 mtm180 -126.29 147.56 49.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.378 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.579 HG12 HG12 ' A' 1126 ' ' ILE . 25.5 m -129.35 153.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -124.27 113.31 18.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.077 0.465 . . . . 0.0 109.76 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.584 HG22 HG12 ' A' 1124 ' ' VAL . 76.4 p -56.07 128.9 37.68 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.058 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.7 pt -112.65 -2.49 10.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.518 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.413 ' CD2' HG13 ' A' 1075 ' ' ILE . 84.6 m-85 -136.16 138.26 41.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.879 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.42 131.33 46.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.716 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.699 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.0 t -141.13 94.95 2.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.593 0.711 . . . . 0.0 109.858 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.589 ' HA ' HG23 ' A' 1087 ' ' THR . 36.7 mt-30 -93.64 101.49 13.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.861 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -46.59 126.58 8.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.163 -177.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.69 -37.72 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.41 173.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 31.9 m-80 -94.11 159.06 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.796 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.33 -20.99 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.441 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.56 -12.4 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.625 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.4 mt-10 -86.03 157.6 20.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.417 HD21 HG12 ' A' 1109 ' ' ILE . 62.0 tp -96.62 143.74 27.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.134 0.493 . . . . 0.0 111.137 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' 1079 ' ' GLN . 34.8 m -103.9 124.6 49.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.809 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.699 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 21.1 p90 -157.45 164.07 37.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.119 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.48 173.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.634 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.78 -5.01 12.85 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.613 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.41 127.24 31.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.979 0.418 . . . . 0.0 110.676 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 61.6 t -88.64 122.2 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.573 HG12 HD13 ' A' 1109 ' ' ILE . 57.9 mt -113.48 129.84 68.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.809 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.623 HG12 ' HG2' ' A' 1071 ' ' ARG . 27.4 mt -91.78 117.12 34.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.497 HG11 ' HD2' ' A' 1070 ' ' ARG . 58.7 t -68.99 116.31 9.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.26 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.9 p -110.08 -8.37 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.087 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -173.45 174.33 46.03 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.358 -0.449 . . . . 0.0 112.098 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.58 137.03 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 0.0 110.27 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.468 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.9 mm-40 -105.2 -43.59 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.097 0.475 . . . . 0.0 110.412 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.7 t70 -151.13 -164.5 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.854 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.474 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.7 pt20 -77.79 -29.42 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 110.555 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.705 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.6 pt-20 -117.3 9.39 13.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.705 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.5 m95 -138.77 108.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 -176.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 48.7 m0 -113.21 165.49 12.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.068 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.468 HG13 ' HG2' ' A' 1100 ' ' GLU . 85.4 mt -114.97 136.58 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.524 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -163.72 -169.74 27.65 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.765 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.445 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.0 p-80 -135.43 151.03 50.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.573 HD13 HG12 ' A' 1094 ' ' ILE . 24.8 mm -69.23 131.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 129.8 43.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.826 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.18 2.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.605 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -121.98 90.64 48.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 122.706 -0.291 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.87 -1.16 7.24 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.447 2.098 . . . . 0.0 111.788 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -75.35 -26.04 58.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.814 0.816 . . . . 0.0 108.906 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -95.7 88.55 5.02 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.607 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 27.3 mtmt -121.07 173.07 7.5 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.996 173.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.73 -169.6 30.56 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.342 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' 1105 ' ' TRP . 26.9 m -86.23 142.53 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.524 ' HE1' ' N ' ' A' 1107 ' ' GLY . 21.0 p90 -142.37 135.41 14.01 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.588 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1103 ' ' GLU . 25.2 Cg_endo -65.74 125.62 14.6 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.673 2.249 . . . . 0.0 111.905 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 9.7 t -64.04 -25.27 37.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.385 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 2.6 p -70.36 -16.41 62.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -95.99 -1.91 48.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.568 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.584 HG12 HG22 ' A' 1074 ' ' THR . 31.5 m -122.68 147.29 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.1 0.476 . . . . 0.0 111.784 -174.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.484 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.1 t60 -104.3 105.1 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.579 HG12 HG12 ' A' 1072 ' ' VAL . 20.9 mt -72.81 132.31 33.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.186 0.517 . . . . 0.0 111.419 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.58 -31.46 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.488 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 50.2 m 62.69 13.68 6.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.704 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.753 -179.011 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -68.47 118.81 12.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.25 0.548 . . . . 0.0 110.42 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.788 ' HG2' HG12 ' A' 1095 ' ' ILE . 82.0 mtm180 -127.66 170.48 12.64 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.9 m -138.8 142.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.887 0.375 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.45 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.2 tppp? -107.45 105.46 15.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.599 HG22 HG12 ' A' 1124 ' ' VAL . 72.6 p -55.76 121.01 8.23 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' 1125 ' ' HIS . 4.7 pt -103.56 -1.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -139.47 145.73 39.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.84 135.12 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.357 175.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 52.1 t -129.99 106.61 8.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' 1079 ' ' GLN . 1.2 pp0? -88.11 97.52 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.837 0.827 . . . . 0.0 109.598 174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.54 137.39 58.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.672 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -101.08 -44.13 5.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.215 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' 1084 ' ' ASP . 58.3 t30 -85.1 145.8 27.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.12 0.65 11.0 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.055 0.455 . . . . 0.0 111.104 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.46 ' HB3' ' ND2' ' A' 1082 ' ' ASN . 25.2 t70 -98.75 -18.87 17.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.133 175.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.542 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 49.0 mt-10 -84.17 152.17 24.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.582 HD21 HG12 ' A' 1109 ' ' ILE . 58.4 tp -96.07 142.33 28.4 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.803 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.6 m -101.73 122.98 44.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.948 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.432 ' CD1' HG21 ' A' 1074 ' ' THR . 23.3 p90 -149.29 156.3 41.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.779 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -114.65 172.88 3.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.36 118.53 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.873 0.368 . . . . 0.0 110.582 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1091 ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.18 -1.1 16.83 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.67 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 33.5 mm-40 -83.55 140.35 32.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.118 0.485 . . . . 0.0 110.451 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 17.5 t -100.7 123.13 53.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.563 HG12 HD13 ' A' 1109 ' ' ILE . 53.3 mt -116.88 131.9 68.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.788 HG12 ' HG2' ' A' 1071 ' ' ARG . 16.7 mt -88.97 127.06 41.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 84.8 t -74.16 108.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 123.603 0.564 . . . . 0.0 110.394 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.1 p -108.39 -8.1 15.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.372 -174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.21 177.11 47.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.019 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -128.59 148.92 50.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.697 0.284 . . . . 0.0 110.576 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -121.15 -46.19 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.73 0.776 . . . . 0.0 109.772 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 24.5 t70 -143.04 -179.12 6.18 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.523 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -80.3 -15.72 56.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.151 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.725 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.5 pt-20 -118.18 10.48 12.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.634 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.725 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.9 m95 -141.3 107.56 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.904 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.447 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.9 m0 -110.41 165.88 11.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.1 mt -112.98 131.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -159.18 -168.84 21.77 Favored Glycine 0 N--CA 1.437 -1.262 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.333 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.447 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.9 OUTLIER -139.5 152.46 46.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.582 HG12 HD21 ' A' 1086 ' ' LEU . 24.1 mm -70.83 128.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.705 0.288 . . . . 0.0 110.507 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.46 ' HG2' HG13 ' A' 1095 ' ' ILE . 2.5 mm-40 -61.01 121.39 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.937 174.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.11 -15.59 62.83 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.821 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -135.52 71.11 66.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.7 -9.43 22.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.403 . . . . 0.0 111.843 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.86 -30.05 58.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.258 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -102.63 99.81 9.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.43 0.633 . . . . 0.0 110.064 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.447 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 28.1 mtmt -120.15 177.95 4.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.534 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 151.22 -168.56 30.82 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.219 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' 1105 ' ' TRP . 30.0 m -86.37 141.86 13.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 0.0 110.633 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 22.2 p90 -138.51 136.73 19.25 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.471 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' 1103 ' ' GLU . 29.7 Cg_endo -66.53 123.97 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.747 2.298 . . . . 0.0 111.737 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' 1124 ' ' VAL . 10.2 t -68.17 -27.47 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.321 -175.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 13.1 t -76.83 -7.51 55.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.759 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -100.73 -2.05 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.599 HG12 HG22 ' A' 1074 ' ' THR . 23.0 m -124.25 152.42 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 111.558 -174.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.486 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -109.7 101.75 10.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.238 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 50.1 mt -63.53 142.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -170.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 7.4 mt -109.36 136.83 48.16 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.138 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.6 p -99.14 45.37 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.521 0.677 . . . . 0.0 110.256 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.282 -176.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.251 0.548 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' 1070 ' ' ARG . 38.7 ttm180 -84.59 141.23 30.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.512 ' HD2' HG12 ' A' 1095 ' ' ILE . 0.1 OUTLIER -121.66 163.77 18.45 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 174.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.3 m -137.71 141.95 37.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.607 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.8 tmtt? -115.7 107.69 15.4 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.446 HG22 HG12 ' A' 1124 ' ' VAL . 61.9 p -56.19 130.55 44.76 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.203 -171.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 3.5 pt -115.22 -0.07 8.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.575 ' CD2' HG13 ' A' 1075 ' ' ILE . 97.7 m-85 -139.03 157.5 45.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.864 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.77 133.51 38.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.715 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.2 t -122.22 100.49 6.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -80.72 90.94 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.87 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' 1087 ' ' THR . . . -71.02 106.55 3.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.394 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -82.07 -27.12 33.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.573 0.701 . . . . 0.0 109.355 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 28.0 t30 -96.52 137.35 35.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.958 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.73 -12.58 61.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.506 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -83.0 -16.67 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 109.741 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 88.0 mt-10 -88.36 151.97 22.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.473 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.9 tp -93.16 140.51 29.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 0.0 111.652 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' 1080 ' ' ALA . 0.0 OUTLIER -103.54 117.83 35.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.006 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' 1074 ' ' THR . 18.9 p90 -145.69 166.38 25.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.502 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.56 165.35 21.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.19 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' 1090 ' ' GLU . 1.3 mp0 -50.81 116.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.711 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1091 ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.17 1.99 13.9 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.636 173.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -96.51 142.34 28.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.542 0.671 . . . . 0.0 110.606 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.584 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -100.18 129.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.071 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.596 HG12 HD13 ' A' 1109 ' ' ILE . 63.8 mt -117.86 136.96 53.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.512 HG12 ' HD2' ' A' 1071 ' ' ARG . 14.9 mt -91.97 121.53 42.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 93.9 t -69.59 109.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 123.534 0.521 . . . . 0.0 109.788 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 37.6 p -100.13 -23.58 14.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.487 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.83 174.23 32.39 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.995 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -141.69 119.1 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.15 -46.79 6.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' 1102 ' ' GLN . 17.1 t70 -145.26 -158.39 0.89 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.924 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.544 ' H ' ' CG ' ' A' 1101 ' ' ASP . 16.9 mt-30 -76.61 -45.52 29.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.381 0.61 . . . . 0.0 109.863 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -114.01 16.45 18.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.015 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.557 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 91.4 m95 -136.74 104.02 5.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.367 0.603 . . . . 0.0 110.433 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.7 m0 -116.13 169.3 9.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.175 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 97.3 mt -113.87 136.75 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.514 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -173.61 178.6 45.45 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.503 -178.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.4 p-80 -130.77 151.79 50.82 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.739 0.317 . . . . 0.0 111.12 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.596 HD13 HG12 ' A' 1094 ' ' ILE . 26.5 mm -68.69 130.03 33.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.97 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' 1110 ' ' GLU . 1.7 mm-40 -61.6 118.36 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.038 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.22 -18.14 57.46 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.765 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 5.8 tp60 -126.4 72.43 72.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.49 -25.62 48.01 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.191 2.594 . . . . 0.0 113.991 -167.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -72.75 -27.33 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -79.17 86.28 4.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.274 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.7 pttp -144.91 172.78 12.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 147.54 -156.07 26.79 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.0 m -87.31 139.7 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 117.237 0.519 . . . . 0.0 110.851 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' 1072 ' ' VAL . 36.7 p90 -139.38 139.82 23.87 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.36 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.517 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.8 Cg_endo -68.93 121.76 8.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.769 2.313 . . . . 0.0 112.133 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.564 ' HA ' HG22 ' A' 1124 ' ' VAL . 21.2 t -68.75 -21.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.074 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.2 p -72.61 -11.6 60.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.485 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 8.8 m-85 -103.06 -0.42 30.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.661 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 32.7 m -124.19 151.93 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.406 0.622 . . . . 0.0 112.195 -173.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.453 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.2 t60 -106.23 102.53 11.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.552 HG12 HG12 ' A' 1072 ' ' VAL . 58.1 mt -68.06 141.34 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' 1073 ' ' LYS . 10.7 mt -108.27 110.98 22.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.111 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.5 p -100.97 35.55 2.18 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.987 -175.053 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.414 0.149 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -169.13 136.34 1.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.771 0.32 . . . . 0.0 110.534 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.643 ' HG2' HG12 ' A' 1095 ' ' ILE . 60.0 mtm180 -124.23 168.92 12.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.2 m -141.07 145.34 25.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' 1093 ' ' VAL . 9.2 tmtt? -116.08 108.46 16.22 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.536 HG22 HG12 ' A' 1124 ' ' VAL . 65.3 p -57.39 132.2 52.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.136 -172.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 5.9 pt -115.11 -1.54 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -140.82 145.87 36.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.27 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.25 133.84 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.352 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.9 t -128.83 94.18 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.027 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.93 88.64 7.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.598 0.713 . . . . 0.0 109.682 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.46 129.05 38.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.715 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -90.63 -46.21 8.42 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.469 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -82.81 135.17 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.02 -22.0 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.816 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.44 -12.59 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.342 0.591 . . . . 0.0 110.334 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 50.7 mt-10 -88.23 147.17 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.644 HD21 HG12 ' A' 1109 ' ' ILE . 58.6 tp -89.54 138.58 31.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.37 0.605 . . . . 0.0 110.944 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.406 HG23 ' H ' ' A' 1080 ' ' ALA . 0.2 OUTLIER -97.78 124.17 42.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.484 177.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.469 ' CD1' HG21 ' A' 1074 ' ' THR . 24.7 p90 -156.01 166.09 34.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.599 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.57 169.98 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.296 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -56.4 116.14 2.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.385 0.428 . . . . 0.0 111.011 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1091 ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 118.75 -0.79 15.47 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.072 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.439 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.6 mm-40 -89.88 143.08 27.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.003 0.43 . . . . 0.0 110.255 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' 1073 ' ' LYS . 74.3 t -105.59 128.22 59.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.544 0.688 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 58.9 mt -116.67 137.4 50.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 114.887 -1.052 . . . . 0.0 109.799 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.643 HG12 ' HG2' ' A' 1071 ' ' ARG . 25.3 mt -93.92 118.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 61.8 t -69.62 110.22 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.936 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.424 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 43.8 p -104.09 -15.96 15.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.535 -176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.79 175.81 39.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.898 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -134.75 146.22 49.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.413 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.1 mm-40 -114.4 -41.11 3.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.516 0.674 . . . . 0.0 109.691 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -148.99 -163.84 1.88 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.312 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -81.65 -30.15 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.66 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -113.68 12.84 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.66 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.6 m95 -140.04 106.5 5.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1118 ' ' VAL . 53.7 m0 -112.64 166.63 11.16 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.8 mt -116.97 135.84 56.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -167.74 -169.93 31.88 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 119.868 -1.158 . . . . 0.0 112.338 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.56 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.9 p-80 -134.5 149.2 50.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.282 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.644 HG12 HD21 ' A' 1086 ' ' LEU . 20.9 mm -70.73 128.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.419 ' CG ' HG13 ' A' 1095 ' ' ILE . 16.4 mt-10 -65.15 134.27 53.36 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.42 -20.71 48.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.416 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -145.32 86.98 7.25 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 121.064 0.459 . . . . 0.0 109.837 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 -9.3 25.0 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 123.03 2.487 . . . . 0.0 113.508 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.65 -23.69 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.387 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' 1086 ' ' LEU . 37.5 mtt180 -85.07 91.38 8.09 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.901 0.381 . . . . 0.0 110.214 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.56 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.9 mtmm -128.98 170.13 13.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.169 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.57 29.65 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.967 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1105 ' ' TRP . 20.2 m -84.36 142.89 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.932 0.396 . . . . 0.0 110.636 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.479 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.1 p90 -141.06 133.12 13.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.771 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.74 124.0 12.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.875 2.383 . . . . 0.0 111.973 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' 1124 ' ' VAL . 24.4 t -65.59 -25.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.116 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 40.4 t -72.28 -9.31 58.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.783 0.325 . . . . 0.0 110.753 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.67 -3.35 28.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.189 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.8 m -124.63 162.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 111.303 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.68 107.56 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.545 HG13 HG12 ' A' 1072 ' ' VAL . 3.7 mp -65.45 139.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' 1073 ' ' LYS . 12.4 mt -108.95 125.0 51.57 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.862 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.8 t -87.66 15.85 6.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.412 0.625 . . . . 0.0 109.886 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.851 -179.528 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' 1129 ' ' ASP . 19.3 m . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.617 HH11 HG11 ' A' 1096 ' ' VAL . 33.4 ttm180 -169.41 111.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.204 0.526 . . . . 0.0 110.98 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.41 ' CB ' HD12 ' A' 1127 ' ' LEU . 0.0 OUTLIER -113.72 155.87 24.81 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.108 173.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.8 m -132.04 137.92 53.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.355 173.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.537 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.3 tppp? -103.61 105.98 16.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.576 HG22 HG12 ' A' 1124 ' ' VAL . 71.4 p -55.1 128.9 35.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.537 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' 1076 ' ' TYR . 12.8 pt -112.68 0.99 8.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' 1075 ' ' ILE . 87.9 m-85 -137.01 146.84 45.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.096 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' ' OE1' ' A' 1090 ' ' GLU . 16.4 t70 -76.85 129.63 36.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.719 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 29.2 t -126.09 105.81 9.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.8 0.333 . . . . 0.0 110.423 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -89.41 88.59 7.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.888 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.72 146.59 45.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.639 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.51 -35.27 4.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.403 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 43.6 t30 -92.11 141.77 28.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.59 -21.58 64.46 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.595 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -75.23 -26.7 59.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.667 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.567 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 51.3 mt-10 -79.34 143.91 34.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.936 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' 1115 ' ' ARG . 57.4 tp -91.71 141.47 28.65 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 39.1 m -104.4 128.28 52.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.425 ' HB3' HD11 ' A' 1109 ' ' ILE . 19.8 p90 -150.85 163.26 39.08 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.402 -178.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.823 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.38 163.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.301 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.495 ' OE1' ' HB2' ' A' 1077 ' ' ASP . 1.0 OUTLIER -63.79 108.68 1.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 -177.576 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1091 ' ' GLY . . . . . 0.537 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.54 8.86 9.72 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.743 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.504 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.5 tp10 -98.39 134.63 41.11 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 34.2 t -89.39 128.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.97 0.415 . . . . 0.0 110.553 -176.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.645 HG12 HD13 ' A' 1109 ' ' ILE . 60.4 mt -110.75 130.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.415 HD11 ' OE2' ' A' 1110 ' ' GLU . 12.6 mt -94.79 116.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.617 HG11 HH11 ' A' 1070 ' ' ARG . 47.2 t -73.62 116.59 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.454 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.4 p -110.98 -6.09 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.407 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -177.92 178.17 48.44 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.45 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.95 157.89 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.267 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.587 ' HG2' HG13 ' A' 1106 ' ' ILE . 5.9 mm-40 -121.86 -55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.582 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -142.45 -161.34 1.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.369 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -77.7 -27.96 50.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.049 0.452 . . . . 0.0 110.35 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.684 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.3 pt-20 -121.52 10.61 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.047 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.684 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.3 m95 -137.09 115.26 11.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.48 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.528 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 47.3 m0 -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.587 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.5 mt -114.57 140.39 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.454 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -173.82 -154.62 10.88 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.896 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.411 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.5 p-80 -148.7 154.31 39.45 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.645 HD13 HG12 ' A' 1094 ' ' ILE . 21.5 mm -72.91 129.73 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 174.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 7.3 tp10 -75.28 140.42 43.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.85 -38.93 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.475 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -138.73 79.09 29.39 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.67 14.04 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.235 2.623 . . . . 0.0 113.432 -172.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.73 -19.69 28.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.397 0.618 . . . . 0.0 109.471 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 63.8 mtt-85 -85.98 92.46 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.377 173.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.411 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.6 mtmm -125.88 170.25 11.84 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.905 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 140.57 -153.67 23.74 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.648 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.47 HG12 ' HG3' ' A' 1100 ' ' GLU . 28.1 m -93.74 141.9 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.954 0.407 . . . . 0.0 110.73 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.434 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.9 p90 -136.9 136.84 21.81 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.6 Cg_endo -68.05 122.3 9.38 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.969 2.446 . . . . 0.0 112.12 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.9 t -62.59 -28.13 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.638 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.2 m -70.47 -13.01 61.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.736 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -100.42 0.58 40.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.735 0.303 . . . . 0.0 111.401 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 25.2 m -124.93 154.33 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.204 0.526 . . . . 0.0 111.825 -174.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.492 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -111.7 104.09 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.578 HG12 HG12 ' A' 1072 ' ' VAL . 21.7 mt -73.1 138.7 20.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.04 0.447 . . . . 0.0 111.568 -170.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' 1071 ' ' ARG . 11.9 mt -95.02 -25.31 16.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.01 -177.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1128 ' ' SER . . . . . 0.402 ' H ' HG22 ' A' 1126 ' ' ILE . 49.1 m 61.08 21.34 11.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.099 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1129 ' ' ASP . . . . . 0.532 ' O ' ' HB ' ' A' 1069 ' ' VAL . 25.1 t70 . . . . . 0 C--O 1.245 0.843 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.448 -175.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.37 141.56 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.362 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' 1095 ' ' ILE . 85.8 mtm180 -124.99 160.04 29.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.3 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.573 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.9 tmtt? -125.48 108.07 11.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.547 HG22 HG12 ' A' 1124 ' ' VAL . 64.4 p -57.12 134.39 55.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.672 -170.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.47 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.1 pt -115.62 0.64 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.346 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.447 ' CD2' HG13 ' A' 1075 ' ' ILE . 75.8 m-85 -140.65 151.27 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.291 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.448 ' OD1' HG22 ' A' 1089 ' ' ILE . 20.4 t70 -77.7 133.67 38.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.69 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 40.6 t -124.28 120.32 31.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -107.93 98.61 8.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.42 136.96 57.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -107.31 -25.38 11.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.505 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 27.1 m-80 -105.97 146.92 29.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.426 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.36 -13.48 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.542 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 34.0 m-20 -89.51 -7.21 55.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.5 mt-10 -95.4 162.31 13.71 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 65.7 tp -107.89 144.8 34.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 45.5 m -106.76 128.1 53.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.788 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.516 ' CD1' HG21 ' A' 1074 ' ' THR . 24.1 p90 -158.69 158.89 34.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.672 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.05 171.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.57 114.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.242 0.339 . . . . 0.0 110.2 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.82 4.73 12.63 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.128 -1.034 . . . . 0.0 113.0 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 6.4 mm-40 -89.18 127.08 35.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' 1073 ' ' LYS . 48.9 t -87.49 124.72 41.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.543 HG12 HD13 ' A' 1109 ' ' ILE . 54.3 mt -117.28 131.37 70.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.414 HG12 ' HG2' ' A' 1071 ' ' ARG . 39.7 mt -95.8 118.6 42.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 42.4 t -69.6 106.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 123.943 0.777 . . . . 0.0 110.282 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 44.1 p -97.61 -17.52 19.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.64 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.63 171.58 35.38 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.019 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -137.3 125.17 22.61 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.401 ' HG2' HG13 ' A' 1106 ' ' ILE . 36.5 mm-40 -98.32 -52.93 3.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.361 0.6 . . . . 0.0 110.839 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.72 -166.24 2.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.08 -172.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.73 -33.48 66.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.602 0.715 . . . . 0.0 109.966 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.721 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -120.34 9.94 11.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.999 -172.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.721 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.9 m95 -137.38 107.3 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.771 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.452 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.1 m0 -110.69 163.99 13.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' 1100 ' ' GLU . 82.2 mt -113.83 134.42 56.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.503 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -160.96 -171.0 26.34 Favored Glycine 0 N--CA 1.434 -1.439 0 C-N-CA 119.834 -1.174 . . . . 0.0 112.232 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.51 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.4 p-80 -136.41 152.11 50.25 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.543 HD13 HG12 ' A' 1094 ' ' ILE . 29.7 mm -71.27 131.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' 1093 ' ' VAL . 0.4 OUTLIER -62.69 131.41 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.728 178.392 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.22 -39.6 2.83 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.155 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.1 tp60 -127.64 92.03 43.95 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 110.708 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.15 4.13 6.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 123.214 2.609 . . . . 0.0 112.27 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.55 -16.5 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 0.0 110.207 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.417 ' NH1' HG13 ' A' 1109 ' ' ILE . 10.2 ttm180 -99.19 92.46 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.51 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 30.8 mtmm -126.85 176.43 7.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.358 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.83 -166.21 29.28 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.994 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.1 m -88.1 143.33 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.47 . . . . 0.0 110.431 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.503 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.3 p90 -140.85 134.82 15.06 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.527 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.597 ' HA ' ' O ' ' A' 1103 ' ' GLU . 19.8 Cg_endo -64.37 124.82 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.64 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 16.2 t -61.58 -28.74 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.806 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 m -75.75 7.86 3.49 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.95 -2.2 14.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.2 m -124.69 151.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.252 0.548 . . . . 0.0 112.111 -172.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.47 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.88 101.4 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.824 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.582 HG12 HG12 ' A' 1072 ' ' VAL . 65.6 mt -66.76 139.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -170.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' 1073 ' ' LYS . 1.0 OUTLIER -106.65 112.36 25.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.348 172.314 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 66.1 m -84.79 22.64 1.31 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.245 0.853 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.821 174.312 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' HG21 ' A' 1096 ' ' VAL . 4.3 ttm180 -132.77 124.64 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.899 0.381 . . . . 0.0 110.382 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -126.94 158.05 37.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.598 HG12 HG12 ' A' 1126 ' ' ILE . 33.8 m -133.17 146.15 32.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.812 0.339 . . . . 0.0 110.389 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 17.1 tptp -110.58 100.8 9.53 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.598 HG22 HG12 ' A' 1124 ' ' VAL . 74.5 p -53.87 124.85 16.55 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.374 0.607 . . . . 0.0 111.8 -174.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.445 HG13 ' CD1' ' A' 1076 ' ' TYR . 2.1 pt -108.09 1.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.134 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' 1123 ' ' PHE . 74.8 m-85 -133.97 152.93 52.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.079 177.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.44 130.37 35.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.253 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.9 t -131.08 117.51 19.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.789 0.328 . . . . 0.0 110.387 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.554 ' HA ' HG23 ' A' 1087 ' ' THR . 11.2 pt20 -109.84 99.11 8.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.441 0.638 . . . . 0.0 110.15 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.45 141.8 58.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.996 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.12 -33.99 12.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.423 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -108.49 150.24 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.385 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.44 -8.26 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.091 0.472 . . . . 0.0 110.848 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' 1118 ' ' VAL . 19.5 m-20 -71.47 -21.34 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.558 0.694 . . . . 0.0 109.15 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 28.7 mt-10 -102.94 163.17 12.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.298 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.45 HD23 HD13 ' A' 1094 ' ' ILE . 63.0 tp -109.73 143.96 38.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.367 0.604 . . . . 0.0 111.952 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.554 HG23 ' HA ' ' A' 1079 ' ' GLN . 90.9 m -106.34 131.43 53.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.906 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.4 p90 -161.5 162.4 30.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.895 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.644 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.49 167.64 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.85 118.32 4.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.756 0.312 . . . . 0.0 110.425 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.61 -4.43 13.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.024 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.486 ' HG2' HD13 ' A' 1089 ' ' ILE . 8.7 mm-40 -78.82 138.33 38.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.856 0.36 . . . . 0.0 110.625 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 39.2 t -91.79 126.89 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.65 HG12 HD13 ' A' 1109 ' ' ILE . 48.2 mt -119.79 129.08 75.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 26.5 mt -93.12 120.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' 1070 ' ' ARG . 93.7 t -69.28 111.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.424 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 74.9 p -108.51 -17.54 13.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.575 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.03 176.82 37.59 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.836 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -146.38 131.74 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -106.18 -48.37 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 22.1 t70 -136.49 -173.53 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.291 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.54 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 17.7 pt20 -70.65 -33.14 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.246 -177.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.54 ' HG2' ' HG3' ' A' 1102 ' ' GLN . 3.3 pt-20 -124.54 20.45 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.526 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.512 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 91.2 m95 -137.73 104.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.389 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.502 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.5 m0 -113.21 167.28 10.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.242 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.44 136.89 49.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -164.89 -166.73 24.33 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 119.705 -1.236 . . . . 0.0 112.439 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.454 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.8 p-80 -140.03 150.4 44.35 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.65 HD13 HG12 ' A' 1094 ' ' ILE . 28.0 mm -69.8 126.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.089 0.471 . . . . 0.0 110.216 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.543 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 14.9 tt0 -72.86 123.34 23.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.27 -11.49 68.96 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.665 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.97 72.5 8.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -13.47 40.06 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.236 2.624 . . . . 0.0 113.216 -172.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.27 -6.18 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.461 ' NH1' HG13 ' A' 1109 ' ' ILE . 13.1 ttm180 -106.41 95.37 5.71 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 7.5 mtmp? -121.66 177.19 5.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.797 0.332 . . . . 0.0 110.771 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.59 -169.37 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.078 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.8 m -85.14 142.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.227 0.537 . . . . 0.0 110.784 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.464 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.7 p90 -137.53 134.78 18.63 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.07 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.25 124.23 12.65 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.57 2.18 . . . . 0.0 111.387 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.469 HG23 ' C ' ' A' 1103 ' ' GLU . 12.3 t -67.42 -25.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.331 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 11.7 p -74.43 -7.93 54.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.777 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.597 ' HA ' ' CD1' ' A' 1076 ' ' TYR . 4.9 m-85 -103.7 1.27 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.021 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.598 HG12 HG22 ' A' 1074 ' ' THR . 24.5 m -128.33 158.27 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.411 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -118.34 102.61 9.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.598 HG12 HG12 ' A' 1072 ' ' VAL . 33.2 mt -66.97 143.39 15.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -169.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 4.2 mt -109.5 120.22 41.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.051 176.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 9.5 p -90.2 12.85 16.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.462 0.649 . . . . 0.0 110.614 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.652 -179.153 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.586 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 ptp180 -64.22 141.88 58.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.196 0.522 . . . . 0.0 110.732 -176.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -124.61 173.59 8.4 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 27.9 m -140.78 153.91 21.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.952 0.406 . . . . 0.0 110.092 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' 1093 ' ' VAL . 12.0 tppt? -113.61 113.87 25.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.497 HG22 HG12 ' A' 1124 ' ' VAL . 81.0 p -62.57 114.23 3.44 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 26.4 pt -95.99 -12.27 8.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.352 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' 1123 ' ' PHE . 42.0 m-85 -130.88 158.54 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.435 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 6.4 p-10 -91.99 134.29 34.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 0.0 110.094 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 42.7 t -121.91 112.72 18.65 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.886 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.79 97.18 10.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.443 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -52.83 129.98 31.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.228 -178.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -95.95 -34.35 11.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.54 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' 1085 ' ' GLU . 48.3 t-20 -92.94 147.25 22.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.89 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.63 -21.68 61.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.209 0.528 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.28 3.42 54.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.852 0.834 . . . . 0.0 109.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' A' 1082 ' ' ASN . 20.0 tt0 -101.28 167.62 10.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.599 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' 1115 ' ' ARG . 50.4 tp -112.38 140.62 46.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.356 0.598 . . . . 0.0 112.269 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.7 m -103.2 126.05 50.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.58 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 25.6 p90 -157.84 166.12 33.51 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.035 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.643 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.65 168.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 2.9 mp0 -56.6 119.33 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.38 -2.92 13.99 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.821 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.45 142.84 28.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.994 0.425 . . . . 0.0 110.684 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' 1073 ' ' LYS . 47.3 t -99.2 125.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.552 HG12 HD13 ' A' 1109 ' ' ILE . 64.0 mt -113.11 133.27 59.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.486 HD11 ' OE2' ' A' 1110 ' ' GLU . 8.4 mt -93.18 117.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.586 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 60.5 t -70.28 110.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.571 -177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 45.0 p -111.05 -1.25 16.35 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.916 -175.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.65 165.6 38.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.579 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -136.13 120.67 18.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.933 0.397 . . . . 0.0 110.272 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.43 ' HG2' HG13 ' A' 1106 ' ' ILE . 17.7 mm-40 -95.03 -48.03 6.14 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.421 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.3 t70 -138.58 -165.04 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.236 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.439 ' H ' ' CG ' ' A' 1101 ' ' ASP . 37.0 mt-30 -80.67 -33.35 35.62 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.343 0.592 . . . . 0.0 109.547 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -115.98 11.52 15.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.803 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.8 m95 -135.35 110.76 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.715 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.4 m0 -116.48 167.21 11.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.43 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.1 mt -114.1 135.06 55.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.8 -178.01 41.14 Favored Glycine 0 N--CA 1.437 -1.272 0 C-N-CA 119.826 -1.178 . . . . 0.0 112.402 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.3 p-80 -133.39 148.71 51.83 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.483 -0.359 . . . . 0.0 110.548 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.552 HD13 HG12 ' A' 1094 ' ' ILE . 25.6 mm -62.07 124.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.486 ' OE2' HD11 ' A' 1095 ' ' ILE . 4.6 tp10 -61.51 127.42 31.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.279 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.37 -21.28 45.19 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.683 -176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.7 tp60 -141.75 88.08 9.74 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.19 -4.94 14.66 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.956 2.438 . . . . 0.0 112.565 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -67.14 -31.21 71.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.535 0.683 . . . . 0.0 109.332 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.624 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.6 mtt180 -98.74 97.2 8.47 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.591 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 48.5 pttt -148.27 162.37 39.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.099 0.476 . . . . 0.0 112.237 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.38 -154.06 25.24 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.809 -176.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.6 m -88.48 142.4 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 117.218 0.509 . . . . 0.0 111.209 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.477 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.2 p90 -142.14 135.89 14.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.2 Cg_endo -67.82 123.25 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.79 2.326 . . . . 0.0 111.984 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' 1124 ' ' VAL . 19.6 t -65.27 -21.62 29.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.916 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 21.9 t -68.98 -10.57 58.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.691 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.443 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.4 m-85 -106.56 0.43 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.661 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.7 m -136.01 152.1 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.998 0.427 . . . . 0.0 112.012 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.58 119.78 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.589 HG13 HG12 ' A' 1072 ' ' VAL . 5.2 mp -72.93 132.51 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.349 0.595 . . . . 0.0 111.861 -172.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.4 mt -104.03 141.24 36.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.102 -0.953 . . . . 0.0 108.632 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 50.7 p -95.62 16.91 15.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.251 0.548 . . . . 0.0 110.758 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.469 178.444 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 121.605 0.716 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.516 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 9.7 tpt180 -77.5 98.13 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.574 -177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1071 ' ' ARG . 44.0 mtt85 -120.07 154.51 34.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 36.0 m -137.21 162.83 33.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' 1093 ' ' VAL . 74.0 tttt -138.47 118.35 13.28 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' 1088 ' ' PHE . 60.0 p -57.74 119.39 6.56 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.956 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' 1125 ' ' HIS . 3.5 pt -104.94 -3.64 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.244 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -138.57 151.25 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.052 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.33 129.99 36.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 46.7 t -126.47 123.69 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.488 . . . . 0.0 110.061 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -105.57 99.36 8.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.062 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.68 112.62 2.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.458 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.382 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' 1084 ' ' ASP . 33.0 t30 -107.18 145.86 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.539 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.28 -12.37 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 111.424 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 8.1 m-20 -75.28 -21.74 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.395 0.617 . . . . 0.0 109.47 173.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 65.8 mt-10 -87.1 155.13 20.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.423 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' 1115 ' ' ARG . 59.0 tp -95.01 142.61 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.093 0.473 . . . . 0.0 110.81 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.4 m -107.23 123.87 48.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.486 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' 1074 ' ' THR . 12.5 p90 -150.15 158.37 44.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -177.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.623 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.01 165.92 12.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.85 115.04 1.96 Allowed 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.238 0.336 . . . . 0.0 110.921 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.14 6.04 11.19 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.372 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.409 ' HB3' HD12 ' A' 1109 ' ' ILE . 41.5 mt-10 -95.51 130.83 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.231 0.515 . . . . 0.0 109.63 173.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' 1073 ' ' LYS . 99.2 t -89.92 132.98 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.689 HG12 HD13 ' A' 1109 ' ' ILE . 51.7 mt -117.79 132.33 67.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.727 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.424 HG13 ' HG2' ' A' 1110 ' ' GLU . 25.6 mt -93.34 118.15 38.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.516 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 42.7 t -70.91 109.4 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.089 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 66.9 p -97.07 -5.57 37.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.108 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -174.24 167.63 40.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.894 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.453 ' HG2' ' CG ' ' A' 1105 ' ' TRP . 42.4 mt-10 -137.08 117.62 13.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.184 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.39 -54.43 3.92 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.446 0.641 . . . . 0.0 110.242 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 7.2 t70 -129.35 -166.15 1.61 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.441 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -78.44 -36.53 45.39 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.274 0.559 . . . . 0.0 109.795 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.585 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.0 pt-20 -115.46 13.57 16.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.848 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.585 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 96.6 m95 -138.03 104.49 5.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.43 0.633 . . . . 0.0 111.052 -176.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.1 m0 -113.42 168.43 9.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.416 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.3 mt -118.97 137.16 53.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.478 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.31 -168.37 33.64 Favored Glycine 0 N--CA 1.437 -1.285 0 C-N-CA 119.817 -1.183 . . . . 0.0 112.419 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.405 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -135.68 152.66 51.4 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 124.027 0.486 . . . . 0.0 109.965 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.689 HD13 HG12 ' A' 1094 ' ' ILE . 24.5 mm -74.52 133.83 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.424 ' HG2' HG13 ' A' 1095 ' ' ILE . 7.7 mm-40 -68.97 135.3 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.582 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 81.17 -17.65 12.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.631 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -136.0 67.67 63.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.35 -5.79 15.88 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.968 2.445 . . . . 0.0 112.308 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.84 -10.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.992 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.581 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.9 mtt180 -99.98 96.39 7.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.861 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.405 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.9 mtmt -128.28 177.23 7.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.551 175.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 139.97 -165.3 25.97 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.906 173.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' 1105 ' ' TRP . 29.8 m -88.56 136.88 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 0.0 110.33 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.478 ' HE1' ' N ' ' A' 1107 ' ' GLY . 26.4 p90 -134.66 139.52 32.72 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.476 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.571 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.3 Cg_endo -69.64 122.81 9.52 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.586 2.19 . . . . 0.0 111.993 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.466 ' HA ' HG22 ' A' 1124 ' ' VAL . 38.3 t -64.34 -24.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.485 -175.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 -5.7 28.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.603 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -111.9 2.78 17.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.395 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.7 m -125.75 150.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.485 0.66 . . . . 0.0 112.292 -173.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.6 t60 -108.0 111.55 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.236 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.525 HG12 HG12 ' A' 1072 ' ' VAL . 45.7 mt -70.75 144.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.72 89.24 3.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.69 42.0 1.05 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.467 0.651 . . . . 0.0 110.105 174.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.777 -178.282 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.595 0.712 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -86.71 149.48 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.553 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.588 ' HG3' HG12 ' A' 1095 ' ' ILE . 5.9 mpt_? -119.83 154.62 34.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.464 . . . . 0.0 109.948 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -133.36 138.34 51.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.6 tmtt? -111.08 106.21 15.19 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.532 HG21 ' CD1' ' A' 1088 ' ' PHE . 69.6 p -56.69 126.25 25.95 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.908 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' 1125 ' ' HIS . 8.7 pt -111.87 1.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.227 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -137.77 140.12 40.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.833 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.23 134.35 37.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.188 0.518 . . . . 0.0 109.894 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 35.7 t -120.02 94.13 4.29 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.763 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -84.55 88.34 7.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.94 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.78 129.63 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.187 -174.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.42 -28.79 20.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.481 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -103.76 142.63 34.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.531 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.06 -17.75 63.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.85 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.89 -29.36 62.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.026 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.566 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 48.0 mt-10 -79.05 147.59 32.77 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.703 177.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.8 142.79 31.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.577 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.5 m -106.99 124.18 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.57 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.532 ' CD1' HG21 ' A' 1074 ' ' THR . 25.6 p90 -155.09 161.83 41.18 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 -178.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.03 171.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.604 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.09 118.98 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.91 -4.26 14.3 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.253 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.74 129.55 34.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 110.27 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' 1073 ' ' LYS . 98.6 t -92.66 118.28 37.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.574 HG12 HD13 ' A' 1109 ' ' ILE . 42.3 mt -108.54 132.28 56.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.653 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.588 HG12 ' HG3' ' A' 1071 ' ' ARG . 19.8 mt -95.02 120.44 44.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.828 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 80.6 t -69.34 110.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.574 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 80.1 p -106.6 -15.76 14.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.365 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -155.92 174.12 33.88 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.709 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.99 133.16 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.839 0.319 . . . . 0.0 110.637 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.45 -45.24 4.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.267 0.556 . . . . 0.0 109.948 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.86 -171.11 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.9 -18.26 47.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.502 0.592 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.672 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.9 pt-20 -116.51 9.78 14.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.044 0.45 . . . . 0.0 110.328 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.672 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.7 m95 -141.04 104.56 4.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.31 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 51.5 m0 -112.51 164.35 13.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.814 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.14 136.67 51.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.457 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -166.79 -165.3 23.95 Favored Glycine 0 N--CA 1.437 -1.254 0 C-N-CA 119.443 -1.361 . . . . 0.0 112.413 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.433 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -138.78 151.96 47.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -177.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.574 HD13 HG12 ' A' 1094 ' ' ILE . 36.3 mm -75.38 127.6 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.12 128.87 38.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.5 -22.14 40.57 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.206 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -141.56 75.31 22.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.3 11.72 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.079 2.519 . . . . 0.0 113.218 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -92.27 -26.8 17.97 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -84.77 87.93 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.433 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 31.3 mtmt -122.44 177.53 5.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.212 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 145.51 -161.52 28.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.292 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 16.3 m -90.16 138.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 110.352 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.457 ' HE1' ' N ' ' A' 1107 ' ' GLY . 32.4 p90 -138.8 134.77 17.27 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.563 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' 1103 ' ' GLU . 22.0 Cg_endo -65.95 122.13 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.508 2.139 . . . . 0.0 111.965 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.67 -21.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.968 -175.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.6 m -72.56 -2.6 20.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.42 -0.35 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.754 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.1 m -122.72 147.61 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.413 0.625 . . . . 0.0 112.085 -172.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -98.21 100.75 12.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.027 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.493 HG12 HG12 ' A' 1072 ' ' VAL . 52.6 mt -72.88 144.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.109 0.481 . . . . 0.0 112.042 -169.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' 1071 ' ' ARG . 3.2 mt -105.85 122.59 46.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 11.3 p -86.4 14.55 6.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.708 0.766 . . . . 0.0 109.949 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.193 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.7 0.286 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.534 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 40.0 ttm180 -123.66 113.48 18.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.308 0.575 . . . . 0.0 111.47 -176.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.06 168.14 11.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 174.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -139.08 162.41 27.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 76.1 tttt -138.64 115.43 10.73 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.541 HG21 ' CD1' ' A' 1088 ' ' PHE . 70.1 p -59.42 124.75 21.05 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.088 -171.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' 1125 ' ' HIS . 15.8 pt -105.2 -1.15 9.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.282 0.563 . . . . 0.0 110.106 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.443 ' CD2' HG13 ' A' 1075 ' ' ILE . 86.8 m-85 -139.79 158.73 43.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.413 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 5.9 p-10 -90.39 140.25 29.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.302 0.573 . . . . 0.0 110.343 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 31.2 t -125.08 116.9 22.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.581 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.504 ' HA ' HG23 ' A' 1087 ' ' THR . 97.3 mt-30 -100.2 94.06 6.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.89 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.56 116.85 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.488 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -94.76 1.46 55.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.699 . . . . 0.0 109.664 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.659 ' HB3' ' HG2' ' A' 1085 ' ' GLU . 18.7 t30 -130.17 134.41 47.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -13.52 62.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.886 0.374 . . . . 0.0 111.644 -171.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.52 -17.61 47.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.659 ' HG2' ' HB3' ' A' 1082 ' ' ASN . 6.6 mm-40 -81.43 -169.66 2.4 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' 1115 ' ' ARG . 58.5 tp -130.75 141.07 50.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.99 0.424 . . . . 0.0 111.254 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.504 HG23 ' HA ' ' A' 1079 ' ' GLN . 5.5 m -103.48 123.43 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.811 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.541 ' CD1' HG21 ' A' 1074 ' ' THR . 15.2 p90 -153.61 165.55 35.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.26 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.0 167.78 16.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 1.5 mp0 -54.75 117.91 3.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.252 0.345 . . . . 0.0 110.82 -178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.8 -2.28 13.47 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.091 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -84.12 131.18 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.941 0.371 . . . . 0.0 110.455 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 94.3 t -87.55 135.47 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.549 HG12 HD13 ' A' 1109 ' ' ILE . 66.6 mt -129.5 138.82 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.5 mt -99.56 122.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 88.1 t -71.59 112.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.072 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 62.4 p -105.88 -17.6 14.31 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.88 178.01 38.75 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.18 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -137.58 134.02 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.674 0.274 . . . . 0.0 110.929 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -107.71 -50.7 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.26 0.552 . . . . 0.0 110.307 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -139.07 -179.83 6.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.904 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -77.19 -15.99 59.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 0.0 110.339 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.643 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.0 pt-20 -122.46 9.5 9.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.753 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.643 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 90.3 m95 -139.93 108.32 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.757 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.534 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 49.4 m0 -110.79 168.34 9.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.134 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' 1117 ' ' GLY . 81.9 mt -113.18 135.38 52.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.23 -177.87 42.04 Favored Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.613 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' 1113 ' ' PRO . 2.5 p-80 -132.57 150.8 52.1 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 123.651 0.265 . . . . 0.0 110.565 -176.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.549 HD13 HG12 ' A' 1094 ' ' ILE . 19.7 mm -58.95 124.91 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.546 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.58 129.44 39.87 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.47 -9.17 69.25 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.346 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -162.31 90.17 1.36 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.278 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1113 ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' 1108 ' ' HIS . 21.3 Cg_exo -65.6 -7.6 16.79 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.399 2.733 . . . . 0.0 112.603 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.06 -41.78 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.478 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' 1086 ' ' LEU . 36.0 mtt180 -86.08 89.57 7.86 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.776 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.482 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -138.77 166.65 23.86 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.545 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1117 ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 153.45 -151.57 23.31 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.4 m -92.82 140.39 16.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.013 0.435 . . . . 0.0 110.661 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.9 p90 -139.56 136.69 17.88 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.41 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.1 Cg_endo -65.51 123.61 11.68 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.731 2.287 . . . . 0.0 111.812 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' 1103 ' ' GLU . 12.5 t -65.01 -25.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.46 -175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.5 p -69.04 -16.28 63.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.2 m-85 -97.27 1.38 49.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.4 m -129.69 148.38 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.489 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.0 OUTLIER -104.08 121.32 42.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.541 HG12 HG12 ' A' 1072 ' ' VAL . 70.5 mt -75.02 136.25 25.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.364 0.602 . . . . 0.0 112.278 -170.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' 1073 ' ' LYS . 3.2 mt -101.91 117.99 35.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.7 m -90.25 39.58 0.97 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.492 0.663 . . . . 0.0 109.741 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.245 0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.207 -177.6 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 17.6 tpp85 -142.24 98.65 3.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.741 0.782 . . . . 0.0 111.185 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 65.9 mtt180 -126.13 169.51 12.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.8 m -139.84 144.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' 1127 ' ' LEU . 9.7 tptp -108.38 106.49 16.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1074 ' ' THR . . . . . . . . . . . . . 61.4 p -54.82 112.49 1.05 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.542 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.2 pt -102.52 5.33 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.53 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -145.08 139.96 27.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.141 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.39 118.63 11.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 173.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 41.4 t -117.22 107.21 14.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.147 0.498 . . . . 0.0 111.454 -177.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -94.18 95.14 8.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.416 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -54.91 146.85 16.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.394 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.33 -35.05 12.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.486 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -114.07 158.43 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.87 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.0 -16.78 62.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.191 0.52 . . . . 0.0 110.091 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -67.73 -30.87 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.69 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.57 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 36.8 mt-10 -87.07 153.0 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 108.849 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.553 HD23 HD13 ' A' 1094 ' ' ILE . 45.0 tp -91.03 138.64 31.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.235 0.54 . . . . 0.0 111.146 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.5 m -104.83 120.4 41.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.349 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.673 ' HB3' HD11 ' A' 1109 ' ' ILE . 26.3 p90 -146.7 158.82 43.99 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.657 -175.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.683 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.45 157.97 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.305 0.574 . . . . 0.0 110.367 178.082 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.409 ' HG3' ' C ' ' A' 1075 ' ' ILE . 8.6 tt0 -58.66 116.71 3.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.62 -173.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.88 -3.02 14.8 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.029 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.86 159.76 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.651 0.738 . . . . 0.0 112.13 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.546 HG22 ' HE2' ' A' 1073 ' ' LYS . 39.9 t -98.44 126.32 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.224 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.624 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -114.11 129.05 70.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.4 121.36 47.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.557 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 78.6 t -72.27 112.98 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 124.044 0.84 . . . . 0.0 110.22 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 56.0 p -107.49 -2.6 20.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.354 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.45 174.17 46.67 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.887 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -140.71 136.8 32.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 -16.33 6.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 14.8 t70 -148.94 -170.74 3.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -92.64 -25.03 18.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 0.0 110.063 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.634 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.3 pt-20 -116.82 11.29 14.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 109.842 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.78 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 89.4 m95 -137.92 105.74 5.64 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.897 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.3 m0 -111.5 165.41 12.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.243 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.463 HG12 HG12 ' A' 1118 ' ' VAL . 98.8 mt -113.47 131.38 65.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.062 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.482 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.96 -176.17 40.01 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.9 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.6 p-80 -131.43 151.97 51.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.726 0.298 . . . . 0.0 110.989 -173.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' 1088 ' ' PHE . 23.7 mm -70.44 123.49 24.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.584 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.85 137.45 53.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.09 34.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.138 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -146.83 80.78 9.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.91 -5.05 12.48 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.89 2.393 . . . . 0.0 112.863 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -73.94 -28.01 61.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 109.861 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -94.35 92.03 6.98 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.569 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -139.99 161.96 36.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1117 ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 162.82 -152.52 22.73 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.463 HG12 HG12 ' A' 1106 ' ' ILE . 23.9 m -96.88 132.29 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.327 0.584 . . . . 0.0 110.786 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.486 ' HZ ' HG22 ' A' 1096 ' ' VAL . 25.8 p90 -129.62 140.78 39.67 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.26 122.23 9.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.671 2.247 . . . . 0.0 111.752 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 12.1 t -67.71 -23.24 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.746 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 14.0 t -79.31 11.05 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -121.29 0.52 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 28.1 m -129.31 162.12 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 0.0 111.557 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.451 ' HB2' HG23 ' A' 1075 ' ' ILE . 3.2 t60 -117.32 103.84 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.533 HG12 HG12 ' A' 1072 ' ' VAL . 68.0 mt -62.15 132.44 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -169.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' 1073 ' ' LYS . 11.6 mt -96.71 137.96 35.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.841 -1.072 . . . . 0.0 108.294 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 5.7 p -85.48 8.9 17.37 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.33 0.586 . . . . 0.0 111.751 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.04 173.194 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.605 0.241 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.509 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 7.2 tpt180 -149.53 99.13 2.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 72.3 mtm-85 -131.33 157.15 44.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.0 m -131.13 150.42 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.025 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' 1127 ' ' LEU . 18.3 tptm -116.21 102.84 9.94 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.548 HG22 HG12 ' A' 1124 ' ' VAL . 68.2 p -53.97 132.4 42.16 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.025 0.441 . . . . 0.0 111.462 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.8 pt -118.97 -6.45 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' 1075 ' ' ILE . 96.0 m-85 -133.14 143.61 49.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.953 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.03 132.33 51.6 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.933 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 50.7 t -133.38 94.43 3.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 110.318 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.575 ' HA ' HG23 ' A' 1087 ' ' THR . 6.8 pt20 -92.75 95.11 9.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.625 0.726 . . . . 0.0 109.881 176.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.8 141.65 37.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.027 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.4 -34.18 10.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.509 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.526 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 10.7 m120 -90.14 159.74 16.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.31 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.08 -23.99 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.472 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.76 -23.1 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.795 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.526 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 62.0 mt-10 -75.58 145.8 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.61 HD21 HG12 ' A' 1109 ' ' ILE . 53.9 tp -91.62 141.6 28.53 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.282 0.563 . . . . 0.0 111.167 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.575 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.5 m -101.46 123.15 45.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.688 176.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -154.62 162.03 41.32 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.7 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.0 166.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.02 119.01 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.16 0.288 . . . . 0.0 110.623 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.99 -0.59 14.88 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.536 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.411 ' HG2' HD13 ' A' 1089 ' ' ILE . 10.1 mm-40 -84.6 136.07 33.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 110.711 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 28.7 t -91.77 124.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.448 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.565 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -116.8 129.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.98 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1071 ' ' ARG . 24.7 mt -91.53 119.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.509 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 59.6 t -69.99 113.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.408 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 57.5 p -108.24 -7.84 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.97 172.08 41.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -141.28 129.15 21.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 110.21 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -104.29 -54.14 2.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.901 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' 1102 ' ' GLN . 13.3 t70 -136.73 -167.48 2.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.72 -172.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.422 ' H ' ' CG ' ' A' 1101 ' ' ASP . 4.6 tp-100 -72.21 -38.34 69.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 0.0 109.729 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' 1120 ' ' PRO . 5.3 pt-20 -120.92 18.9 11.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.773 -174.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 85.8 m95 -141.5 108.96 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.6 m0 -114.45 174.91 5.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.405 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.85 136.64 57.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -169.56 -166.37 28.46 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.577 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.55 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.5 OUTLIER -134.33 154.93 51.05 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.602 0.236 . . . . 0.0 110.387 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.61 HG12 HD21 ' A' 1086 ' ' LEU . 21.9 mm -75.15 132.39 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.43 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.47 ' HG2' HG13 ' A' 1095 ' ' ILE . 6.0 mm-40 -72.33 132.88 44.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.71 -34.01 4.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.589 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -134.79 72.78 68.21 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.03 -3.46 13.68 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 123.404 2.736 . . . . 0.0 112.99 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -81.08 -14.27 57.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.142 0.496 . . . . 0.0 110.16 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 33.9 mtt-85 -86.93 94.58 9.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.55 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.4 mtmp? -126.83 166.93 16.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.003 0.43 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.02 -157.73 27.44 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.015 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.0 m -89.24 140.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.07 0.462 . . . . 0.0 110.772 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 29.8 p90 -139.44 136.85 18.14 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.061 178.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.8 Cg_endo -66.88 122.07 9.36 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.447 ' HA ' HG22 ' A' 1124 ' ' VAL . 42.4 t -65.31 -28.23 43.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.005 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.9 m -66.53 -16.51 64.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.789 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.6 m-85 -99.58 2.9 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.493 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 26.7 m -127.74 157.44 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 0.0 111.945 -175.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -115.53 101.1 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 66.4 mt -61.63 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.313 0.577 . . . . 0.0 112.479 -172.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.1 mt -103.25 122.48 44.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.463 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 17.5 p -96.49 29.79 2.79 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.635 -178.722 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.526 HH11 HG11 ' A' 1096 ' ' VAL . 41.6 ttm180 -83.7 137.47 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.433 . . . . 0.0 111.132 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -127.74 148.63 50.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 HG12 ' A' 1126 ' ' ILE . 32.6 m -132.06 152.64 37.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' 1127 ' ' LEU . 14.7 tptp -118.92 104.14 10.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.436 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.559 HG22 HG12 ' A' 1124 ' ' VAL . 70.9 p -54.55 133.13 46.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.966 -175.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 12.4 pt -120.22 6.03 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.151 0.5 . . . . 0.0 111.025 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.535 ' N ' ' HB3' ' A' 1090 ' ' GLU . 79.3 m-85 -147.12 149.99 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.046 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.26 136.69 37.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 20.7 t -130.48 108.08 9.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -93.41 94.4 8.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.558 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -40.67 126.72 2.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 113.196 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -100.05 -30.21 12.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.587 ' HB2' ' HB2' ' A' 1085 ' ' GLU . 80.1 m-20 -94.35 148.81 21.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.397 175.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -11.3 60.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -103.79 5.45 36.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.93 . . . . 0.0 109.374 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.587 ' HB2' ' HB2' ' A' 1082 ' ' ASN . 30.5 tt0 -92.14 169.91 10.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.814 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.764 HD21 HG12 ' A' 1109 ' ' ILE . 54.9 tp -116.03 142.26 47.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.949 0.404 . . . . 0.0 111.262 -178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 8.2 m -102.06 124.13 47.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' 1074 ' ' THR . 29.5 p90 -151.17 162.21 41.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.125 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.97 155.48 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.213 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.535 ' HB3' ' N ' ' A' 1076 ' ' TYR . 2.1 pp20? -63.79 126.91 29.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.853 0.835 . . . . 0.0 111.082 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.68 -5.95 14.16 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.747 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.94 151.1 20.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.487 HG22 ' HE2' ' A' 1073 ' ' LYS . 20.1 t -95.33 126.62 47.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.306 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.59 HG12 HD13 ' A' 1109 ' ' ILE . 55.6 mt -116.15 131.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 28.0 mt -96.84 120.89 46.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.526 HG11 HH11 ' A' 1070 ' ' ARG . 44.6 t -73.23 111.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.406 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.416 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 59.2 p -106.7 -6.14 18.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.93 171.83 44.69 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.267 -0.492 . . . . 0.0 111.995 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -134.87 126.39 28.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.457 ' OE1' HG11 ' A' 1118 ' ' VAL . 1.9 pt-20 -113.21 -12.2 13.14 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.695 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.0 t70 -159.23 -173.65 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.28 -38.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.552 0.615 . . . . 0.0 110.036 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.1 pt-20 -112.46 16.07 19.98 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.722 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 81.9 m95 -138.09 104.6 5.27 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.627 0.727 . . . . 0.0 110.429 178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' 1118 ' ' VAL . 52.0 m0 -113.9 167.96 10.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.169 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.403 HG12 HG12 ' A' 1118 ' ' VAL . 91.1 mt -113.19 135.2 53.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.416 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -166.39 -164.75 22.54 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.094 -1.051 . . . . 0.0 112.041 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 1.7 p-80 -141.18 149.01 40.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.764 HG12 HD21 ' A' 1086 ' ' LEU . 17.7 mm -68.39 125.45 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.455 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 9.8 tp10 -70.81 130.05 40.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.95 11.21 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.18 -172.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -132.64 78.8 66.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.06 -11.78 33.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 123.202 2.601 . . . . 0.0 113.075 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -77.56 -20.59 53.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.422 0.629 . . . . 0.0 109.947 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.455 ' HB3' HD11 ' A' 1086 ' ' LEU . 14.6 mmt180 -86.72 86.83 7.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.482 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 18.1 mtmm -125.98 171.9 10.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.409 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.4 -164.42 27.68 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.344 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.3 m -88.27 140.85 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.203 0.525 . . . . 0.0 110.795 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.445 ' HZ ' HG22 ' A' 1096 ' ' VAL . 27.6 p90 -138.46 139.73 25.79 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.4 Cg_endo -67.54 117.28 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.617 2.211 . . . . 0.0 111.971 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.4 ' HA ' HG22 ' A' 1124 ' ' VAL . 30.9 t -64.69 -27.82 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.098 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.0 m -65.76 -13.53 59.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 5.3 m-85 -102.35 1.73 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.2 m -124.65 156.03 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.802 0.334 . . . . 0.0 111.339 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.88 105.76 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.586 HG12 HG12 ' A' 1072 ' ' VAL . 39.8 mt -67.63 137.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.161 0.505 . . . . 0.0 111.831 -171.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.8 mt -87.53 106.02 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.791 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 10.3 p -87.33 25.02 1.47 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.49 0.662 . . . . 0.0 110.085 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.632 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.625 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 mtt180 -57.77 125.7 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.168 0.509 . . . . 0.0 111.903 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 82.7 mtt85 -129.8 161.16 31.39 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 175.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.6 m -142.49 144.5 24.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -114.33 115.51 27.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.135 0.493 . . . . 0.0 109.757 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' 1088 ' ' PHE . 82.3 p -56.18 111.54 0.99 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.997 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.502 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.7 pt -101.35 3.9 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.445 0.641 . . . . 0.0 109.853 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' 1123 ' ' PHE . 94.8 m-85 -137.62 138.46 39.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.793 176.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.33 128.09 35.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.411 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' 1088 ' ' PHE . 53.6 t -127.77 93.65 3.75 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.022 0.439 . . . . 0.0 110.738 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -89.13 89.02 7.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.119 0.485 . . . . 0.0 109.723 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -49.87 141.95 9.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.526 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.05 -32.02 12.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.412 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.29 150.68 35.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.58 -5.4 45.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.09 0.471 . . . . 0.0 110.812 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.41 -27.23 56.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.759 0.79 . . . . 0.0 109.276 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 25.9 mt-10 -87.04 147.24 25.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.79 139.07 32.21 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.705 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 4.9 m -102.22 124.77 48.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.51 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' 1074 ' ' THR . 14.7 p90 -157.92 163.97 37.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.087 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.684 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.12 166.19 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -53.71 120.73 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.228 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.15 -4.73 15.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.796 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' 1089 ' ' ILE . 24.3 mm-40 -82.12 131.07 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.068 0.461 . . . . 0.0 110.555 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 99.0 t -87.74 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.548 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 72.9 mt -121.43 135.06 62.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' 1110 ' ' GLU . 6.7 mt -94.75 119.24 42.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.625 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 40.4 t -71.39 112.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.487 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.539 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 65.2 p -100.55 -20.38 15.73 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.07 176.23 40.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.71 138.06 45.61 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.434 ' OE1' HG11 ' A' 1118 ' ' VAL . 4.5 pt-20 -113.71 -31.06 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.34 0.59 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 18.5 t70 -140.7 -179.64 6.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.0 -26.42 36.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.096 0.474 . . . . 0.0 110.164 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.2 pt-20 -115.01 10.45 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.258 0.551 . . . . 0.0 110.46 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.787 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 90.5 m95 -137.16 109.98 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.777 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.5 m0 -112.05 166.03 11.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.536 HG12 HG12 ' A' 1118 ' ' VAL . 97.1 mt -121.77 137.44 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.049 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.539 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.97 -158.14 15.43 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 119.739 -1.219 . . . . 0.0 112.162 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.489 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.5 p-80 -145.39 148.65 33.57 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' 1115 ' ' ARG . 1.0 OUTLIER -67.13 124.82 23.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.712 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.462 ' HB2' HG13 ' A' 1095 ' ' ILE . 7.7 tt0 -61.58 118.76 7.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.479 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.63 -22.75 37.34 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.243 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -124.8 81.0 61.97 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 109.946 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.98 -4.89 16.15 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.297 2.665 . . . . 0.0 113.196 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -86.33 1.65 50.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.542 0.687 . . . . 0.0 110.017 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.576 ' HB3' HG13 ' A' 1109 ' ' ILE . 8.1 mmt85 -120.46 86.64 2.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.405 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 26.8 mtmt -118.46 177.16 4.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 143.5 -161.6 27.69 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.789 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.536 HG12 HG12 ' A' 1106 ' ' ILE . 14.6 m -98.22 144.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.851 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.422 ' CE2' HG21 ' A' 1072 ' ' VAL . 18.1 p90 -140.27 133.97 15.27 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 125.47 14.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.574 2.182 . . . . 0.0 111.346 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.424 HG23 ' C ' ' A' 1103 ' ' GLU . 13.7 t -64.86 -27.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.576 -173.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 t -76.05 -7.62 55.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.664 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.526 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 6.3 m-85 -97.25 -0.49 46.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.476 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 35.4 m -130.96 153.76 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 112.18 -174.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.437 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.54 106.43 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.885 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.573 HG12 HG12 ' A' 1072 ' ' VAL . 51.3 mt -70.03 143.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' 1071 ' ' ARG . 9.1 mt -113.02 128.79 56.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.218 177.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.9 t -90.08 47.08 1.41 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.275 0.56 . . . . 0.0 110.035 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.373 -179.585 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.437 0.637 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.463 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 tpt180 -84.22 101.64 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.945 -178.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -126.36 173.2 9.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.9 m -141.72 147.63 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.569 ' HE2' ' HA2' ' A' 1091 ' ' GLY . 22.5 tptm -113.15 104.54 12.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.551 HG22 HG12 ' A' 1124 ' ' VAL . 72.3 p -54.63 123.15 12.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.101 0.477 . . . . 0.0 111.57 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' 1076 ' ' TYR . 6.4 pt -107.82 -3.56 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.439 ' CD2' HG13 ' A' 1075 ' ' ILE . 81.3 m-85 -136.0 151.82 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.76 123.3 25.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.683 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.463 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.2 t -125.21 103.36 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.055 0.455 . . . . 0.0 110.196 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' 1087 ' ' THR . 75.2 mt-30 -95.96 95.29 8.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.707 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.21 130.76 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.294 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -83.92 -29.29 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.584 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -107.56 149.12 28.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.024 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.91 -8.06 55.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.208 0.528 . . . . 0.0 110.126 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.37 -22.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.217 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.561 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 29.8 mt-10 -102.15 153.15 20.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.622 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.463 HD23 HD13 ' A' 1094 ' ' ILE . 58.0 tp -90.91 139.88 30.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.342 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' 1079 ' ' GLN . 6.8 m -100.86 130.31 46.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.35 176.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 20.3 p90 -159.51 166.32 31.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 167.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.14 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.85 114.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.421 0.451 . . . . 0.0 110.875 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1091 ' ' GLY . . . . . 0.569 ' HA2' ' HE2' ' A' 1073 ' ' LYS . . . 118.24 5.88 12.67 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.003 -0.618 . . . . 0.0 113.152 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.471 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.0 mm-40 -89.11 143.82 26.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.0 110.545 175.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 47.4 t -102.06 125.77 56.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.824 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.614 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -118.74 138.31 49.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.734 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.611 HD13 ' CD2' ' A' 1108 ' ' HIS . 3.9 mp -93.4 122.54 44.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 62.1 t -69.16 108.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.44 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.1 p -112.72 1.72 15.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.644 -174.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.4 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.426 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -141.73 120.4 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.619 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.2 mm-40 -96.11 -43.08 7.91 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.564 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -148.43 -162.02 1.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.45 -31.17 24.73 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.641 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.4 pt-20 -110.37 11.26 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.078 0.466 . . . . 0.0 110.75 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.641 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.1 m95 -139.62 107.97 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.865 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -116.45 165.85 12.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.153 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' 1100 ' ' GLU . 80.3 mt -114.1 140.89 32.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.473 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -165.45 -174.98 35.62 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.557 -1.306 . . . . 0.0 112.804 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' 1095 ' ' ILE . 2.0 p-80 -136.86 146.39 45.52 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.614 HD13 HG12 ' A' 1094 ' ' ILE . 21.1 mm -67.06 135.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.574 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.499 ' HG2' HD11 ' A' 1095 ' ' ILE . 1.5 mm-40 -53.15 115.99 2.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 175.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.97 -11.06 69.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.891 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -133.91 92.4 22.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.794 0.33 . . . . 0.0 111.308 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.83 0.42 6.48 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.857 2.371 . . . . 0.0 110.461 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.26 -36.08 22.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.028 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -90.55 90.97 8.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.173 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.505 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.4 mtmm -132.19 173.94 10.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.843 0.354 . . . . 0.0 110.605 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 142.07 -167.04 26.16 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.156 174.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.1 m -83.96 143.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' 1072 ' ' VAL . 31.7 p90 -144.59 134.33 11.62 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' 1103 ' ' GLU . 27.7 Cg_endo -65.06 124.63 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.72 2.28 . . . . 0.0 111.565 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.2 t -65.18 -25.07 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.576 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 33.0 t -75.88 -3.8 37.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.439 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 13.5 m-85 -102.66 0.59 33.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.2 m -132.37 159.7 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.218 -176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -116.36 108.1 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.57 HG12 HG12 ' A' 1072 ' ' VAL . 60.0 mt -65.77 141.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -168.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.4 mt -115.22 135.46 54.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.288 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -96.81 13.98 26.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 168.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.957 -179.434 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' ' CZ3' ' A' 1105 ' ' TRP . 10.3 ptp85 . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.44 ' HG2' HG12 ' A' 1095 ' ' ILE . 50.2 mtt85 -119.02 146.72 44.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 HG12 ' A' 1126 ' ' ILE . 31.5 m -129.93 148.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.138 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' 1093 ' ' VAL . 18.0 tptp -117.36 103.11 9.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.628 HG22 HG12 ' A' 1124 ' ' VAL . 80.6 p -53.78 122.41 9.9 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.207 0.527 . . . . 0.0 111.829 -174.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1125 ' ' HIS . 10.6 pt -106.61 -3.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -139.12 148.36 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.205 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.26 136.83 36.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 33.8 t -124.37 103.96 8.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -89.63 90.28 8.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.867 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.85 151.71 38.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.384 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.4 -33.29 4.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.087 0.47 . . . . 0.0 110.154 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.8 150.5 20.59 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.4 -12.62 60.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.41 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.33 -27.33 47.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.869 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.626 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 43.2 mt-10 -81.49 151.9 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.312 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' 1115 ' ' ARG . 61.4 tp -96.07 140.7 30.41 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.646 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 2.3 m -106.24 122.33 46.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.644 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' 1074 ' ' THR . 21.9 p90 -152.19 165.22 35.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.221 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.86 171.66 12.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.28 116.39 3.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.31 -3.12 14.03 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.8 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.03 138.09 37.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.474 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 21.8 t -91.02 130.33 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 59.5 mt -123.44 130.49 74.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.501 HG13 ' HB2' ' A' 1110 ' ' GLU . 20.5 mt -94.61 116.61 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.48 HG22 ' HZ ' ' A' 1119 ' ' PHE . 91.8 t -69.17 117.69 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.936 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 70.4 p -112.09 -12.5 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.12 175.46 41.64 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -135.65 136.18 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.741 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -110.57 -50.45 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.66 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 38.2 t70 -143.5 -178.73 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.549 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.694 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 15.2 pt20 -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.097 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.707 ' O ' ' HA ' ' A' 1120 ' ' PRO . 29.5 mm-40 -107.97 4.21 24.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.381 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 92.7 m95 -138.81 103.85 4.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.297 0.57 . . . . 0.0 111.074 -172.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.487 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 46.1 m0 -111.36 167.36 10.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.825 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 1117 ' ' GLY . 92.8 mt -113.44 133.77 58.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.484 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.52 -174.13 39.59 Favored Glycine 0 N--CA 1.434 -1.475 0 C-N-CA 120.149 -1.024 . . . . 0.0 111.903 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.52 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.2 p-80 -134.4 151.03 50.95 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 123.75 0.323 . . . . 0.0 110.26 -175.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.611 HD13 HG12 ' A' 1094 ' ' ILE . 27.2 mm -65.31 121.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 12.8 tt0 -68.05 128.26 35.88 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.51 -13.85 65.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.958 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -154.32 78.52 5.19 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -71.25 -2.74 11.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.287 2.658 . . . . 0.0 113.353 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -82.87 -13.32 56.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.035 0.445 . . . . 0.0 110.472 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.495 ' HB3' HD11 ' A' 1086 ' ' LEU . 80.0 mtt180 -91.47 93.52 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 170.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.52 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.1 pttm -148.75 161.34 41.97 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 154.88 -144.15 10.76 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.414 -1.075 . . . . 0.0 110.414 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 28.8 m -94.94 141.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 117.168 0.484 . . . . 0.0 110.571 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.484 ' HE1' ' N ' ' A' 1107 ' ' GLY . 34.3 p90 -142.18 140.22 19.03 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.707 ' HA ' ' O ' ' A' 1103 ' ' GLU . 36.5 Cg_endo -68.95 126.62 14.08 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.733 2.289 . . . . 0.0 112.621 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 23.0 t -71.26 -28.18 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.224 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 4.15 7.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -112.86 -0.54 14.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.628 HG12 HG22 ' A' 1074 ' ' THR . 28.0 m -124.61 155.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.802 0.334 . . . . 0.0 111.478 -175.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.509 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.9 t60 -108.27 106.2 16.25 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.6 HG12 HG12 ' A' 1072 ' ' VAL . 38.2 mt -76.73 134.01 29.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.603 0.716 . . . . 0.0 112.223 -170.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.767 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.636 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.45 -0.427 0 CA-C-O 121.168 0.509 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.47 152.74 31.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.5 m -128.94 154.58 40.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.3 tmtt? -128.19 113.99 16.41 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.504 HG22 HG12 ' A' 1124 ' ' VAL . 69.0 p -61.0 133.17 55.83 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.467 -170.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.578 HG23 ' HB2' ' A' 1125 ' ' HIS . 12.7 pt -112.14 -10.37 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' 1075 ' ' ILE . 68.2 m-85 -133.41 153.32 51.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 t70 -74.13 130.05 39.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 37.9 t -119.84 112.54 19.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -97.19 96.61 8.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.675 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.37 145.24 54.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.995 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.53 -34.11 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.274 0.559 . . . . 0.0 109.914 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.535 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 23.8 t30 -92.3 140.81 29.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.35 -11.37 60.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 111.137 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 1.7 m-20 -88.98 -4.13 58.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.691 174.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 60.3 mt-10 -94.63 153.04 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.5 tp -96.77 137.43 35.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.473 0.654 . . . . 0.0 111.309 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.0 m -105.54 123.65 48.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.814 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.446 ' CD1' HG21 ' A' 1074 ' ' THR . 22.9 p90 -151.82 159.69 43.8 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.432 -176.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.513 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.46 168.78 12.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.518 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.66 116.61 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.496 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . 0.512 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.05 3.95 12.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.423 -0.894 . . . . 0.0 113.142 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.88 136.95 36.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.235 0.517 . . . . 0.0 110.57 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.8 t -89.75 136.44 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.868 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.616 HG12 HD13 ' A' 1109 ' ' ILE . 55.2 mt -126.36 137.25 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.1 mt -100.73 120.55 50.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.403 HG22 ' HZ ' ' A' 1119 ' ' PHE . 98.1 t -69.77 113.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.43 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 66.8 p -109.0 -15.74 14.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.18 179.31 39.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.297 -0.477 . . . . 0.0 112.105 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -142.22 141.77 32.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.834 0.35 . . . . 0.0 110.764 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -110.16 -54.76 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.418 0.628 . . . . 0.0 110.087 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' 1102 ' ' GLN . 21.2 t70 -136.9 -173.13 3.36 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.355 -175.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.417 ' H ' ' CG ' ' A' 1101 ' ' ASP . 12.5 pt20 -75.4 -23.58 57.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.172 0.511 . . . . 0.0 110.176 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.42 13.48 11.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.791 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -141.8 106.48 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.604 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.1 m0 -111.78 167.43 10.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.6 mt -117.33 136.38 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.266 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.43 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.12 -162.33 23.28 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.146 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.469 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.3 p-80 -144.05 148.95 35.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.616 HD13 HG12 ' A' 1094 ' ' ILE . 24.4 mm -62.95 125.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.77 122.93 18.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.021 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.36 -31.64 7.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.019 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -118.07 81.57 16.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 110.139 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.92 1.09 8.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.617 2.211 . . . . 0.0 113.211 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -87.48 -13.15 43.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.253 0.549 . . . . 0.0 109.728 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.543 ' HD3' HG13 ' A' 1109 ' ' ILE . 38.8 mtt180 -98.76 90.65 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.113 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.3 mtmp? -131.33 166.61 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.56 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 146.31 -161.22 28.32 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.856 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.9 m -86.9 140.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.403 ' HZ ' HG22 ' A' 1096 ' ' VAL . 31.6 p90 -138.09 134.35 17.84 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.426 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.89 122.2 10.16 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.661 2.241 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -24.43 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.243 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.5 m -69.76 -9.35 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.78 0.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.764 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.4 m -125.29 147.02 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.132 0.491 . . . . 0.0 112.157 -173.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.578 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.2 t60 -107.48 113.84 27.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.325 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.589 HG12 HG12 ' A' 1072 ' ' VAL . 21.3 mt -81.24 138.01 20.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.271 0.558 . . . . 0.0 112.322 -168.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.435 178.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.418 ' HD2' HG11 ' A' 1096 ' ' VAL . 20.8 ttm180 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 38.5 mtm180 -121.87 166.34 14.54 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.617 HG12 HD13 ' A' 1126 ' ' ILE . 35.9 m -138.95 160.96 29.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' 1127 ' ' LEU . 75.3 tttt -132.12 117.2 17.99 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.549 ' HA ' HG12 ' A' 1124 ' ' VAL . 50.3 p -63.44 132.31 50.99 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.531 -173.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 41.0 pt -115.48 -12.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -133.15 143.02 48.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.79 132.48 52.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.092 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.0 t -125.77 116.14 21.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -108.77 112.01 24.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.572 0.701 . . . . 0.0 110.127 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -61.46 124.25 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.756 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.65 -25.26 15.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.44 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 37.3 m-80 -106.55 179.7 4.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.78 -42.56 49.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -92.01 0.56 57.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.382 0.61 . . . . 0.0 111.522 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 56.6 mt-10 -79.8 139.42 37.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.8 tp -87.62 140.59 29.36 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.4 m -101.83 126.51 48.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.107 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.468 ' CD1' HG21 ' A' 1074 ' ' THR . 16.5 p90 -156.05 157.89 36.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.552 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -114.67 160.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.507 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.85 117.54 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.328 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.76 -2.52 15.19 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.987 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.08 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.999 0.428 . . . . 0.0 109.851 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 72.8 t -93.27 129.46 43.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.172 0.511 . . . . 0.0 109.809 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.586 HG12 HD13 ' A' 1109 ' ' ILE . 62.9 mt -115.05 137.84 47.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.617 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.527 HD11 ' OE2' ' A' 1110 ' ' GLU . 9.8 mt -98.08 118.13 44.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.418 HG11 ' HD2' ' A' 1070 ' ' ARG . 52.8 t -69.98 111.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.386 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 60.7 p -113.85 -3.33 13.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.86 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.05 172.03 40.59 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.263 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -140.28 136.07 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.717 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.6 mm-40 -109.25 -48.87 3.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 110.757 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' 1102 ' ' GLN . 22.9 t70 -149.35 -163.94 1.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.038 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.9 tt0 -73.15 -34.13 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.407 0.622 . . . . 0.0 110.104 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' 1120 ' ' PRO . 4.7 pt-20 -122.99 14.84 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.988 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.3 m95 -136.61 110.72 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.231 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.0 m0 -114.92 171.06 7.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.871 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' 1100 ' ' GLU . 75.1 mt -119.13 136.36 56.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.558 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.14 -179.81 45.01 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 119.989 -1.101 . . . . 0.0 111.908 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.6 p-80 -127.46 153.51 46.2 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.814 0.361 . . . . 0.0 110.681 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.586 HD13 HG12 ' A' 1094 ' ' ILE . 33.5 mm -65.62 121.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.031 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.527 ' OE2' HD11 ' A' 1095 ' ' ILE . 5.4 tp10 -65.2 122.55 17.34 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.31 68.43 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.29 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -150.36 79.66 7.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -2.47 11.51 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.099 2.532 . . . . 0.0 114.931 -168.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -77.35 -34.27 55.18 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.533 ' HB3' HD11 ' A' 1086 ' ' LEU . 49.3 mtt180 -85.81 97.25 10.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.657 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 20.9 pttp -139.76 160.11 40.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.521 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.64 -157.53 29.25 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.6 m -86.78 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 0.0 110.86 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.558 ' HE1' ' N ' ' A' 1107 ' ' GLY . 33.3 p90 -139.9 137.36 18.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' 1103 ' ' GLU . 32.5 Cg_endo -67.49 122.91 10.18 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.833 2.355 . . . . 0.0 112.14 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 24.6 t -64.33 -28.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.29 -176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 6.3 m -70.75 -16.99 62.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -93.52 3.39 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.382 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' 1074 ' ' THR . 32.7 m -134.23 165.11 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.074 0.464 . . . . 0.0 110.971 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.4 OUTLIER -106.82 161.84 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 167.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.617 HD13 HG12 ' A' 1072 ' ' VAL . 30.8 mm -97.89 142.3 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.785 0.326 . . . . 0.0 110.404 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.3 mt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.72 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.596 ' HG2' HG12 ' A' 1095 ' ' ILE . 73.7 mtm180 -126.34 168.17 14.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.553 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 29.3 m -137.99 161.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.665 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.5 tmtt? -133.4 116.67 16.33 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.539 HG22 HG12 ' A' 1124 ' ' VAL . 80.4 p -64.58 129.79 41.18 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.908 -172.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.01 -3.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.043 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' A' 1090 ' ' GLU . 40.8 m-85 -138.98 156.92 46.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.422 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.17 130.47 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.252 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.588 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 12.4 t -139.99 94.83 2.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.345 0.593 . . . . 0.0 109.54 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.605 ' HA ' HG23 ' A' 1087 ' ' THR . 27.1 mt-30 -90.63 107.91 19.47 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.517 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -42.04 133.07 3.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.733 -177.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.15 -31.48 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.475 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -117.85 156.61 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.907 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.29 -20.26 66.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.354 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 7.1 m-20 -86.71 -12.64 47.72 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.997 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.472 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 70.8 mt-10 -87.81 153.72 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1115 ' ' ARG . 55.7 tp -97.72 143.03 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.288 0.566 . . . . 0.0 111.211 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.4 m -101.44 121.17 41.45 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.722 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 15.4 p90 -154.47 166.27 33.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.317 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 171.91 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' 1076 ' ' TYR . 26.5 mt-10 -56.44 113.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.382 0.427 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.87 4.34 12.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.305 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' 1089 ' ' ILE . 55.3 mm-40 -90.3 139.93 30.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.08 0.467 . . . . 0.0 110.813 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.9 t -102.16 130.89 51.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.838 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.626 HG12 HD13 ' A' 1109 ' ' ILE . 57.2 mt -121.24 139.0 49.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.998 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.596 HG12 ' HG2' ' A' 1071 ' ' ARG . 9.8 mt -93.5 124.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 60.7 t -71.54 110.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.972 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.586 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 68.6 p -114.29 -1.27 13.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.397 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.59 171.76 43.84 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.629 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -143.48 135.16 26.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.114 0.457 . . . . 0.0 110.659 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -114.94 -48.0 2.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.526 0.679 . . . . 0.0 110.49 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.611 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 25.8 t70 -135.42 -172.83 3.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.898 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.5 tt0 -77.14 -34.22 56.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.551 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.5 pt-20 -113.38 16.47 18.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.611 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 88.3 m95 -141.55 104.29 4.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.501 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.494 ' O ' ' HA ' ' A' 1118 ' ' VAL . 54.5 m0 -112.56 171.3 7.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.82 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 89.0 mt -116.33 138.75 45.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.586 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -174.2 -166.06 31.71 Favored Glycine 0 N--CA 1.433 -1.532 0 C-N-CA 119.708 -1.235 . . . . 0.0 112.462 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.488 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.1 p-80 -140.41 150.46 43.91 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.854 0.385 . . . . 0.0 110.307 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.626 HD13 HG12 ' A' 1094 ' ' ILE . 21.2 mm -68.44 127.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.479 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.498 ' HG2' HG13 ' A' 1095 ' ' ILE . 3.4 mm-40 -60.03 118.55 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.283 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.88 -13.64 67.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.199 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -132.69 78.66 66.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.61 -9.24 25.53 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.948 2.432 . . . . 0.0 112.558 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -78.76 -21.28 48.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.407 0.623 . . . . 0.0 109.559 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.548 ' HB3' HD11 ' A' 1086 ' ' LEU . 10.2 mmt180 -93.67 92.19 7.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.21 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.7 mtmt -131.69 175.88 8.81 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.543 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 137.92 -163.77 25.56 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.834 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' 1105 ' ' TRP . 22.4 m -86.29 137.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.161 0.505 . . . . 0.0 110.256 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 28.1 p90 -133.13 136.92 28.29 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.21 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.551 ' HA ' ' O ' ' A' 1103 ' ' GLU . 39.7 Cg_endo -69.41 119.53 6.48 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 111.786 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' 1124 ' ' VAL . 16.1 t -68.99 -21.25 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.318 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.0 p -72.21 -8.75 56.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.808 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.3 m-85 -107.95 6.7 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.602 HG22 ' HA ' ' A' 1121 ' ' VAL . 19.0 m -138.8 170.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.689 0.757 . . . . 0.0 112.094 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.2 OUTLIER -113.96 156.35 24.18 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.074 169.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.475 HG13 HG12 ' A' 1072 ' ' VAL . 2.9 mp -100.61 138.31 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' 1073 ' ' LYS . 7.2 mt . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.363 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.497 ' HD2' HG11 ' A' 1096 ' ' VAL . 40.0 ttm180 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 121.01 0.434 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' 1095 ' ' ILE . 88.2 mtm180 -126.29 147.56 49.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.378 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.579 HG12 HG12 ' A' 1126 ' ' ILE . 25.5 m -129.35 153.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -124.27 113.31 18.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.077 0.465 . . . . 0.0 109.76 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.584 HG22 HG12 ' A' 1124 ' ' VAL . 76.4 p -56.07 128.9 37.68 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.058 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.7 pt -112.65 -2.49 10.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.518 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.413 ' CD2' HG13 ' A' 1075 ' ' ILE . 84.6 m-85 -136.16 138.26 41.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.879 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.42 131.33 46.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.716 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.699 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.0 t -141.13 94.95 2.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.593 0.711 . . . . 0.0 109.858 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.589 ' HA ' HG23 ' A' 1087 ' ' THR . 36.7 mt-30 -93.64 101.49 13.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.861 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -46.59 126.58 8.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.163 -177.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.69 -37.72 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.41 173.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 31.9 m-80 -94.11 159.06 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.796 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.33 -20.99 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.441 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.56 -12.4 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.625 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.4 mt-10 -86.03 157.6 20.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.417 HD21 HG12 ' A' 1109 ' ' ILE . 62.0 tp -96.62 143.74 27.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.134 0.493 . . . . 0.0 111.137 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' 1079 ' ' GLN . 34.8 m -103.9 124.6 49.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.809 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.699 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 21.1 p90 -157.45 164.07 37.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.119 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.48 173.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.78 -5.01 12.85 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.613 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.41 127.24 31.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.979 0.418 . . . . 0.0 110.676 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 61.6 t -88.64 122.2 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.573 HG12 HD13 ' A' 1109 ' ' ILE . 57.9 mt -113.48 129.84 68.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.809 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.623 HG12 ' HG2' ' A' 1071 ' ' ARG . 27.4 mt -91.78 117.12 34.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.497 HG11 ' HD2' ' A' 1070 ' ' ARG . 58.7 t -68.99 116.31 9.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.26 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.9 p -110.08 -8.37 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.087 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -173.45 174.33 46.03 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.358 -0.449 . . . . 0.0 112.098 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.58 137.03 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 0.0 110.27 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.468 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.9 mm-40 -105.2 -43.59 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.097 0.475 . . . . 0.0 110.412 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.7 t70 -151.13 -164.5 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.854 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.474 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.7 pt20 -77.79 -29.42 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 110.555 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.705 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.6 pt-20 -117.3 9.39 13.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.705 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.5 m95 -138.77 108.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 -176.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 48.7 m0 -113.21 165.49 12.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.068 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.468 HG13 ' HG2' ' A' 1100 ' ' GLU . 85.4 mt -114.97 136.58 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.524 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -163.72 -169.74 27.65 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.765 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.445 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.0 p-80 -135.43 151.03 50.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.573 HD13 HG12 ' A' 1094 ' ' ILE . 24.8 mm -69.23 131.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 129.8 43.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.826 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.18 2.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.605 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -121.98 90.64 48.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 122.706 -0.291 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.87 -1.16 7.24 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.447 2.098 . . . . 0.0 111.788 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -75.35 -26.04 58.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.814 0.816 . . . . 0.0 108.906 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -95.7 88.55 5.02 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.607 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 27.3 mtmt -121.07 173.07 7.5 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.996 173.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.73 -169.6 30.56 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.342 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' 1105 ' ' TRP . 26.9 m -86.23 142.53 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.524 ' HE1' ' N ' ' A' 1107 ' ' GLY . 21.0 p90 -142.37 135.41 14.01 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.588 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1103 ' ' GLU . 25.2 Cg_endo -65.74 125.62 14.6 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.673 2.249 . . . . 0.0 111.905 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 9.7 t -64.04 -25.27 37.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.385 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 2.6 p -70.36 -16.41 62.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -95.99 -1.91 48.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.568 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.584 HG12 HG22 ' A' 1074 ' ' THR . 31.5 m -122.68 147.29 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.1 0.476 . . . . 0.0 111.784 -174.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.484 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.1 t60 -104.3 105.1 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.579 HG12 HG12 ' A' 1072 ' ' VAL . 20.9 mt -72.81 132.31 33.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.186 0.517 . . . . 0.0 111.419 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.488 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.25 0.548 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.788 ' HG2' HG12 ' A' 1095 ' ' ILE . 82.0 mtm180 -127.66 170.48 12.64 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.9 m -138.8 142.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.887 0.375 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.45 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.2 tppp? -107.45 105.46 15.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.599 HG22 HG12 ' A' 1124 ' ' VAL . 72.6 p -55.76 121.01 8.23 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' 1125 ' ' HIS . 4.7 pt -103.56 -1.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -139.47 145.73 39.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.84 135.12 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.357 175.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 52.1 t -129.99 106.61 8.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' 1079 ' ' GLN . 0.0 OUTLIER -88.11 97.52 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.837 0.827 . . . . 0.0 109.598 174.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.54 137.39 58.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.672 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -101.08 -44.13 5.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.215 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' 1084 ' ' ASP . 58.3 t30 -85.1 145.8 27.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.12 0.65 11.0 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.055 0.455 . . . . 0.0 111.104 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.46 ' HB3' ' ND2' ' A' 1082 ' ' ASN . 25.2 t70 -98.75 -18.87 17.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.133 175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.542 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 49.0 mt-10 -84.17 152.17 24.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.582 HD21 HG12 ' A' 1109 ' ' ILE . 58.4 tp -96.07 142.33 28.4 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.803 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.6 m -101.73 122.98 44.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.948 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.432 ' CD1' HG21 ' A' 1074 ' ' THR . 23.3 p90 -149.29 156.3 41.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.779 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -114.65 172.88 3.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.36 118.53 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.873 0.368 . . . . 0.0 110.582 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.18 -1.1 16.83 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.67 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 33.5 mm-40 -83.55 140.35 32.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.118 0.485 . . . . 0.0 110.451 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 17.5 t -100.7 123.13 53.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.563 HG12 HD13 ' A' 1109 ' ' ILE . 53.3 mt -116.88 131.9 68.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.788 HG12 ' HG2' ' A' 1071 ' ' ARG . 16.7 mt -88.97 127.06 41.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 84.8 t -74.16 108.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 123.603 0.564 . . . . 0.0 110.394 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.1 p -108.39 -8.1 15.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.372 -174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.21 177.11 47.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.019 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -128.59 148.92 50.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.697 0.284 . . . . 0.0 110.576 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -121.15 -46.19 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.73 0.776 . . . . 0.0 109.772 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 24.5 t70 -143.04 -179.12 6.18 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.523 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -80.3 -15.72 56.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.151 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.725 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.5 pt-20 -118.18 10.48 12.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.634 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.725 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.9 m95 -141.3 107.56 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.904 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.447 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.9 m0 -110.41 165.88 11.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.1 mt -112.98 131.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -159.18 -168.84 21.77 Favored Glycine 0 N--CA 1.437 -1.262 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.333 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.447 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.9 OUTLIER -139.5 152.46 46.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.582 HG12 HD21 ' A' 1086 ' ' LEU . 24.1 mm -70.83 128.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.705 0.288 . . . . 0.0 110.507 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.46 ' HG2' HG13 ' A' 1095 ' ' ILE . 2.5 mm-40 -61.01 121.39 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.937 174.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.11 -15.59 62.83 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.821 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' 1114 ' ' GLU . 44.9 tp60 -135.52 71.11 66.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.7 -9.43 22.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.403 . . . . 0.0 111.843 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . 0.406 ' HB3' HE21 ' A' 1112 ' ' GLN . 40.2 tt0 -75.86 -30.05 58.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.258 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -102.63 99.81 9.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.43 0.633 . . . . 0.0 110.064 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.447 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 28.1 mtmt -120.15 177.95 4.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.534 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 151.22 -168.56 30.82 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.219 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' 1105 ' ' TRP . 30.0 m -86.37 141.86 13.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 0.0 110.633 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 22.2 p90 -138.51 136.73 19.25 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.471 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' 1103 ' ' GLU . 29.7 Cg_endo -66.53 123.97 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.747 2.298 . . . . 0.0 111.737 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' 1124 ' ' VAL . 10.2 t -68.17 -27.47 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.321 -175.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 13.1 t -76.83 -7.51 55.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.759 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -100.73 -2.05 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.599 HG12 HG22 ' A' 1074 ' ' THR . 23.0 m -124.25 152.42 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 111.558 -174.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.486 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -109.7 101.75 10.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.238 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 50.1 mt -63.53 142.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -170.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.452 -0.372 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.138 176.453 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' 1070 ' ' ARG . 38.7 ttm180 . . . . . 0 N--CA 1.451 -0.408 0 CA-C-O 120.728 0.299 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.512 ' HD2' HG12 ' A' 1095 ' ' ILE . 0.1 OUTLIER -121.66 163.77 18.45 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 174.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.3 m -137.71 141.95 37.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.607 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.8 tmtt? -115.7 107.69 15.4 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.446 HG22 HG12 ' A' 1124 ' ' VAL . 61.9 p -56.19 130.55 44.76 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.203 -171.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 3.5 pt -115.22 -0.07 8.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.575 ' CD2' HG13 ' A' 1075 ' ' ILE . 97.7 m-85 -139.03 157.5 45.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.864 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.77 133.51 38.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.715 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.2 t -122.22 100.49 6.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -80.72 90.94 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.87 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' 1087 ' ' THR . . . -71.02 106.55 3.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.394 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -82.07 -27.12 33.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.573 0.701 . . . . 0.0 109.355 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 28.0 t30 -96.52 137.35 35.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.958 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.73 -12.58 61.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.506 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -83.0 -16.67 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 109.741 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 88.0 mt-10 -88.36 151.97 22.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.473 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.9 tp -93.16 140.51 29.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 0.0 111.652 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' 1080 ' ' ALA . 0.0 OUTLIER -103.54 117.83 35.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.006 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' 1074 ' ' THR . 18.9 p90 -145.69 166.38 25.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.502 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.56 165.35 21.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.19 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' 1090 ' ' GLU . 1.3 mp0 -50.81 116.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.711 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.17 1.99 13.9 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.636 173.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -96.51 142.34 28.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.542 0.671 . . . . 0.0 110.606 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.584 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -100.18 129.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.071 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.596 HG12 HD13 ' A' 1109 ' ' ILE . 63.8 mt -117.86 136.96 53.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.512 HG12 ' HD2' ' A' 1071 ' ' ARG . 14.9 mt -91.97 121.53 42.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 93.9 t -69.59 109.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 123.534 0.521 . . . . 0.0 109.788 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 37.6 p -100.13 -23.58 14.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.487 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.83 174.23 32.39 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.995 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -141.69 119.1 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.15 -46.79 6.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' 1102 ' ' GLN . 17.1 t70 -145.26 -158.39 0.89 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.924 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.544 ' H ' ' CG ' ' A' 1101 ' ' ASP . 16.9 mt-30 -76.61 -45.52 29.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.381 0.61 . . . . 0.0 109.863 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -114.01 16.45 18.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.015 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.557 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 91.4 m95 -136.74 104.02 5.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.367 0.603 . . . . 0.0 110.433 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.7 m0 -116.13 169.3 9.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.175 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 97.3 mt -113.87 136.75 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.514 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -173.61 178.6 45.45 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.503 -178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.4 p-80 -130.77 151.79 50.82 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.739 0.317 . . . . 0.0 111.12 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.596 HD13 HG12 ' A' 1094 ' ' ILE . 26.5 mm -68.69 130.03 33.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.97 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' 1110 ' ' GLU . 1.7 mm-40 -61.6 118.36 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.038 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.22 -18.14 57.46 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.765 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 5.8 tp60 -126.4 72.43 72.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.49 -25.62 48.01 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.191 2.594 . . . . 0.0 113.991 -167.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -72.75 -27.33 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -79.17 86.28 4.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.274 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.7 pttp -144.91 172.78 12.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 147.54 -156.07 26.79 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.0 m -87.31 139.7 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 117.237 0.519 . . . . 0.0 110.851 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' 1072 ' ' VAL . 36.7 p90 -139.38 139.82 23.87 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.36 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.517 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.8 Cg_endo -68.93 121.76 8.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.769 2.313 . . . . 0.0 112.133 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.564 ' HA ' HG22 ' A' 1124 ' ' VAL . 21.2 t -68.75 -21.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.074 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.2 p -72.61 -11.6 60.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.485 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 8.8 m-85 -103.06 -0.42 30.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.661 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 32.7 m -124.19 151.93 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.406 0.622 . . . . 0.0 112.195 -173.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.453 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.2 t60 -106.23 102.53 11.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.552 HG12 HG12 ' A' 1072 ' ' VAL . 58.1 mt -68.06 141.34 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' 1073 ' ' LYS . 10.7 mt . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.111 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.643 ' HG2' HG12 ' A' 1095 ' ' ILE . 60.0 mtm180 -124.23 168.92 12.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.2 m -141.07 145.34 25.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' 1093 ' ' VAL . 9.2 tmtt? -116.08 108.46 16.22 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.536 HG22 HG12 ' A' 1124 ' ' VAL . 65.3 p -57.39 132.2 52.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.136 -172.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 5.9 pt -115.11 -1.54 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -140.82 145.87 36.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.27 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.25 133.84 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.352 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.9 t -128.83 94.18 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.027 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.93 88.64 7.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.598 0.713 . . . . 0.0 109.682 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.46 129.05 38.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.715 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -90.63 -46.21 8.42 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.469 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -82.81 135.17 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.02 -22.0 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.816 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.44 -12.59 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.342 0.591 . . . . 0.0 110.334 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 50.7 mt-10 -88.23 147.17 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.644 HD21 HG12 ' A' 1109 ' ' ILE . 58.6 tp -89.54 138.58 31.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.37 0.605 . . . . 0.0 110.944 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.406 HG23 ' H ' ' A' 1080 ' ' ALA . 0.2 OUTLIER -97.78 124.17 42.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.484 177.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.469 ' CD1' HG21 ' A' 1074 ' ' THR . 24.7 p90 -156.01 166.09 34.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.599 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.57 169.98 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -56.4 116.14 2.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.385 0.428 . . . . 0.0 111.011 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 118.75 -0.79 15.47 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.072 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.439 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.6 mm-40 -89.88 143.08 27.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.003 0.43 . . . . 0.0 110.255 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' 1073 ' ' LYS . 74.3 t -105.59 128.22 59.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.544 0.688 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 58.9 mt -116.67 137.4 50.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 114.887 -1.052 . . . . 0.0 109.799 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.643 HG12 ' HG2' ' A' 1071 ' ' ARG . 25.3 mt -93.92 118.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 61.8 t -69.62 110.22 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.936 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.424 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 43.8 p -104.09 -15.96 15.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.535 -176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.79 175.81 39.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.898 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -134.75 146.22 49.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.413 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.1 mm-40 -114.4 -41.11 3.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.516 0.674 . . . . 0.0 109.691 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -148.99 -163.84 1.88 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.312 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -81.65 -30.15 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.66 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -113.68 12.84 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.66 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.6 m95 -140.04 106.5 5.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1118 ' ' VAL . 53.7 m0 -112.64 166.63 11.16 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.8 mt -116.97 135.84 56.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -167.74 -169.93 31.88 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 119.868 -1.158 . . . . 0.0 112.338 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.56 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.9 p-80 -134.5 149.2 50.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.282 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.644 HG12 HD21 ' A' 1086 ' ' LEU . 20.9 mm -70.73 128.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.419 ' CG ' HG13 ' A' 1095 ' ' ILE . 16.4 mt-10 -65.15 134.27 53.36 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.42 -20.71 48.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.416 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -145.32 86.98 7.25 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 121.064 0.459 . . . . 0.0 109.837 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 -9.3 25.0 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 123.03 2.487 . . . . 0.0 113.508 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.65 -23.69 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.387 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' 1086 ' ' LEU . 37.5 mtt180 -85.07 91.38 8.09 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.901 0.381 . . . . 0.0 110.214 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.56 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.9 mtmm -128.98 170.13 13.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.169 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.57 29.65 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.967 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1105 ' ' TRP . 20.2 m -84.36 142.89 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.932 0.396 . . . . 0.0 110.636 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.479 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.1 p90 -141.06 133.12 13.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.771 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.74 124.0 12.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.875 2.383 . . . . 0.0 111.973 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' 1124 ' ' VAL . 24.4 t -65.59 -25.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.116 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 40.4 t -72.28 -9.31 58.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.783 0.325 . . . . 0.0 110.753 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.67 -3.35 28.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.189 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.8 m -124.63 162.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 111.303 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.68 107.56 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.545 HG13 HG12 ' A' 1072 ' ' VAL . 3.7 mp -65.45 139.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' 1073 ' ' LYS . 12.4 mt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.862 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.617 HH11 HG11 ' A' 1096 ' ' VAL . 33.4 ttm180 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.204 0.526 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.41 ' CB ' HD12 ' A' 1127 ' ' LEU . 0.0 OUTLIER -113.72 155.87 24.81 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.108 173.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.8 m -132.04 137.92 53.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.355 173.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.537 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.3 tppp? -103.61 105.98 16.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.576 HG22 HG12 ' A' 1124 ' ' VAL . 71.4 p -55.1 128.9 35.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.537 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' 1076 ' ' TYR . 12.8 pt -112.68 0.99 8.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' 1075 ' ' ILE . 87.9 m-85 -137.01 146.84 45.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.096 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' ' OE1' ' A' 1090 ' ' GLU . 16.4 t70 -76.85 129.63 36.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.719 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 29.2 t -126.09 105.81 9.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.8 0.333 . . . . 0.0 110.423 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -89.41 88.59 7.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.888 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.72 146.59 45.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.639 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.51 -35.27 4.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.403 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 43.6 t30 -92.11 141.77 28.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.59 -21.58 64.46 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.595 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -75.23 -26.7 59.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.667 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.567 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 51.3 mt-10 -79.34 143.91 34.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.936 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' 1115 ' ' ARG . 57.4 tp -91.71 141.47 28.65 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 39.1 m -104.4 128.28 52.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.425 ' HB3' HD11 ' A' 1109 ' ' ILE . 19.8 p90 -150.85 163.26 39.08 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.402 -178.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.823 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.38 163.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.301 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.495 ' OE1' ' HB2' ' A' 1077 ' ' ASP . 1.0 OUTLIER -63.79 108.68 1.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 -177.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . 0.537 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.54 8.86 9.72 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.743 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.504 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.5 tp10 -98.39 134.63 41.11 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 34.2 t -89.39 128.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.97 0.415 . . . . 0.0 110.553 -176.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.645 HG12 HD13 ' A' 1109 ' ' ILE . 60.4 mt -110.75 130.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.415 HD11 ' OE2' ' A' 1110 ' ' GLU . 12.6 mt -94.79 116.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.617 HG11 HH11 ' A' 1070 ' ' ARG . 47.2 t -73.62 116.59 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.454 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.4 p -110.98 -6.09 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.407 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -177.92 178.17 48.44 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.45 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.95 157.89 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.267 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.587 ' HG2' HG13 ' A' 1106 ' ' ILE . 5.9 mm-40 -121.86 -55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.582 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -142.45 -161.34 1.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.369 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -77.7 -27.96 50.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.049 0.452 . . . . 0.0 110.35 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.684 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.3 pt-20 -121.52 10.61 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.047 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.684 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.3 m95 -137.09 115.26 11.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.48 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.528 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 47.3 m0 -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.587 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.5 mt -114.57 140.39 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.454 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -173.82 -154.62 10.88 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.896 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.411 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.5 p-80 -148.7 154.31 39.45 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.645 HD13 HG12 ' A' 1094 ' ' ILE . 21.5 mm -72.91 129.73 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 174.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 7.3 tp10 -75.28 140.42 43.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.85 -38.93 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.475 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.415 HE21 ' HG3' ' A' 1115 ' ' ARG . 19.5 tt0 -138.73 79.09 29.39 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.67 14.04 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.235 2.623 . . . . 0.0 113.432 -172.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.73 -19.69 28.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.397 0.618 . . . . 0.0 109.471 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 63.8 mtt-85 -85.98 92.46 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.377 173.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.411 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.6 mtmm -125.88 170.25 11.84 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.905 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 140.57 -153.67 23.74 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.648 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.47 HG12 ' HG3' ' A' 1100 ' ' GLU . 28.1 m -93.74 141.9 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.954 0.407 . . . . 0.0 110.73 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.434 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.9 p90 -136.9 136.84 21.81 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.6 Cg_endo -68.05 122.3 9.38 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.969 2.446 . . . . 0.0 112.12 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.9 t -62.59 -28.13 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.638 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.2 m -70.47 -13.01 61.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.736 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -100.42 0.58 40.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.735 0.303 . . . . 0.0 111.401 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 25.2 m -124.93 154.33 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.204 0.526 . . . . 0.0 111.825 -174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.492 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -111.7 104.09 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.578 HG12 HG12 ' A' 1072 ' ' VAL . 21.7 mt -73.1 138.7 20.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.04 0.447 . . . . 0.0 111.568 -170.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' 1071 ' ' ARG . 11.9 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.01 -177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 . . . . . 0 C--O 1.231 0.1 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' 1095 ' ' ILE . 85.8 mtm180 -124.99 160.04 29.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.3 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.573 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.9 tmtt? -125.48 108.07 11.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.547 HG22 HG12 ' A' 1124 ' ' VAL . 64.4 p -57.12 134.39 55.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.672 -170.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.47 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.1 pt -115.62 0.64 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.346 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.447 ' CD2' HG13 ' A' 1075 ' ' ILE . 75.8 m-85 -140.65 151.27 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.291 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.448 ' OD1' HG22 ' A' 1089 ' ' ILE . 20.4 t70 -77.7 133.67 38.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.69 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 40.6 t -124.28 120.32 31.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -107.93 98.61 8.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.42 136.96 57.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -107.31 -25.38 11.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.505 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 27.1 m-80 -105.97 146.92 29.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.426 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.36 -13.48 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.542 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 34.0 m-20 -89.51 -7.21 55.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.5 mt-10 -95.4 162.31 13.71 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 65.7 tp -107.89 144.8 34.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 45.5 m -106.76 128.1 53.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.788 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.516 ' CD1' HG21 ' A' 1074 ' ' THR . 24.1 p90 -158.69 158.89 34.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.672 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.05 171.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.57 114.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.242 0.339 . . . . 0.0 110.2 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.82 4.73 12.63 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.128 -1.034 . . . . 0.0 113.0 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 6.4 mm-40 -89.18 127.08 35.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' 1073 ' ' LYS . 48.9 t -87.49 124.72 41.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.543 HG12 HD13 ' A' 1109 ' ' ILE . 54.3 mt -117.28 131.37 70.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.414 HG12 ' HG2' ' A' 1071 ' ' ARG . 39.7 mt -95.8 118.6 42.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 42.4 t -69.6 106.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 123.943 0.777 . . . . 0.0 110.282 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 44.1 p -97.61 -17.52 19.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.64 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.63 171.58 35.38 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.019 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -137.3 125.17 22.61 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.401 ' HG2' HG13 ' A' 1106 ' ' ILE . 36.5 mm-40 -98.32 -52.93 3.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.361 0.6 . . . . 0.0 110.839 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.72 -166.24 2.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.08 -172.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.73 -33.48 66.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.602 0.715 . . . . 0.0 109.966 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.721 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -120.34 9.94 11.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.999 -172.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.721 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.9 m95 -137.38 107.3 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.771 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.452 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.1 m0 -110.69 163.99 13.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' 1100 ' ' GLU . 82.2 mt -113.83 134.42 56.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.503 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -160.96 -171.0 26.34 Favored Glycine 0 N--CA 1.434 -1.439 0 C-N-CA 119.834 -1.174 . . . . 0.0 112.232 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.51 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.4 p-80 -136.41 152.11 50.25 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.543 HD13 HG12 ' A' 1094 ' ' ILE . 29.7 mm -71.27 131.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' 1093 ' ' VAL . 0.4 OUTLIER -62.69 131.41 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.728 178.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.22 -39.6 2.83 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.155 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.1 tp60 -127.64 92.03 43.95 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 110.708 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.15 4.13 6.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 123.214 2.609 . . . . 0.0 112.27 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.55 -16.5 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 0.0 110.207 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.417 ' NH1' HG13 ' A' 1109 ' ' ILE . 10.2 ttm180 -99.19 92.46 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.51 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 30.8 mtmm -126.85 176.43 7.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.358 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.83 -166.21 29.28 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.994 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.1 m -88.1 143.33 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.47 . . . . 0.0 110.431 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.503 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.3 p90 -140.85 134.82 15.06 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.527 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.597 ' HA ' ' O ' ' A' 1103 ' ' GLU . 19.8 Cg_endo -64.37 124.82 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.64 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 16.2 t -61.58 -28.74 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.806 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 m -75.75 7.86 3.49 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.95 -2.2 14.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.2 m -124.69 151.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.252 0.548 . . . . 0.0 112.111 -172.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.47 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.88 101.4 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.824 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.582 HG12 HG12 ' A' 1072 ' ' VAL . 65.6 mt -66.76 139.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -170.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' 1073 ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.348 172.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' HG21 ' A' 1096 ' ' VAL . 4.3 ttm180 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.899 0.381 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -126.94 158.05 37.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.598 HG12 HG12 ' A' 1126 ' ' ILE . 33.8 m -133.17 146.15 32.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.812 0.339 . . . . 0.0 110.389 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 17.1 tptp -110.58 100.8 9.53 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.598 HG22 HG12 ' A' 1124 ' ' VAL . 74.5 p -53.87 124.85 16.55 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.374 0.607 . . . . 0.0 111.8 -174.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.445 HG13 ' CD1' ' A' 1076 ' ' TYR . 2.1 pt -108.09 1.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.134 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' 1123 ' ' PHE . 74.8 m-85 -133.97 152.93 52.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.079 177.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.44 130.37 35.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.253 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.9 t -131.08 117.51 19.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.789 0.328 . . . . 0.0 110.387 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.554 ' HA ' HG23 ' A' 1087 ' ' THR . 11.2 pt20 -109.84 99.11 8.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.441 0.638 . . . . 0.0 110.15 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.45 141.8 58.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.996 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.12 -33.99 12.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.423 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -108.49 150.24 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.385 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.44 -8.26 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.091 0.472 . . . . 0.0 110.848 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' 1118 ' ' VAL . 19.5 m-20 -71.47 -21.34 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.558 0.694 . . . . 0.0 109.15 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 28.7 mt-10 -102.94 163.17 12.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.298 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.45 HD23 HD13 ' A' 1094 ' ' ILE . 63.0 tp -109.73 143.96 38.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.367 0.604 . . . . 0.0 111.952 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.554 HG23 ' HA ' ' A' 1079 ' ' GLN . 90.9 m -106.34 131.43 53.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.906 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.4 p90 -161.5 162.4 30.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.895 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.644 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.49 167.64 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.85 118.32 4.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.756 0.312 . . . . 0.0 110.425 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.61 -4.43 13.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.024 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.486 ' HG2' HD13 ' A' 1089 ' ' ILE . 8.7 mm-40 -78.82 138.33 38.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.856 0.36 . . . . 0.0 110.625 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 39.2 t -91.79 126.89 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.65 HG12 HD13 ' A' 1109 ' ' ILE . 48.2 mt -119.79 129.08 75.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 26.5 mt -93.12 120.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' 1070 ' ' ARG . 93.7 t -69.28 111.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.424 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 74.9 p -108.51 -17.54 13.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.575 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.03 176.82 37.59 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.836 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -146.38 131.74 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -106.18 -48.37 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 22.1 t70 -136.49 -173.53 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.291 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.54 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 17.7 pt20 -70.65 -33.14 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.246 -177.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.54 ' HG2' ' HG3' ' A' 1102 ' ' GLN . 3.3 pt-20 -124.54 20.45 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.526 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.512 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 91.2 m95 -137.73 104.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.389 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.502 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.5 m0 -113.21 167.28 10.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.242 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.44 136.89 49.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -164.89 -166.73 24.33 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 119.705 -1.236 . . . . 0.0 112.439 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.454 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.8 p-80 -140.03 150.4 44.35 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.65 HD13 HG12 ' A' 1094 ' ' ILE . 28.0 mm -69.8 126.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.089 0.471 . . . . 0.0 110.216 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.543 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 14.9 tt0 -72.86 123.34 23.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.27 -11.49 68.96 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.665 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.97 72.5 8.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -13.47 40.06 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.236 2.624 . . . . 0.0 113.216 -172.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.27 -6.18 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.461 ' NH1' HG13 ' A' 1109 ' ' ILE . 13.1 ttm180 -106.41 95.37 5.71 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 7.5 mtmp? -121.66 177.19 5.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.797 0.332 . . . . 0.0 110.771 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.59 -169.37 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.078 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.8 m -85.14 142.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.227 0.537 . . . . 0.0 110.784 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.464 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.7 p90 -137.53 134.78 18.63 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.07 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.25 124.23 12.65 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.57 2.18 . . . . 0.0 111.387 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.469 HG23 ' C ' ' A' 1103 ' ' GLU . 12.3 t -67.42 -25.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.331 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 11.7 p -74.43 -7.93 54.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.777 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.597 ' HA ' ' CD1' ' A' 1076 ' ' TYR . 4.9 m-85 -103.7 1.27 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.021 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.598 HG12 HG22 ' A' 1074 ' ' THR . 24.5 m -128.33 158.27 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.411 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -118.34 102.61 9.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.598 HG12 HG12 ' A' 1072 ' ' VAL . 33.2 mt -66.97 143.39 15.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -169.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 4.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.051 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.586 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 ptp180 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.196 0.522 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -124.61 173.59 8.4 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 27.9 m -140.78 153.91 21.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.952 0.406 . . . . 0.0 110.092 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' 1093 ' ' VAL . 12.0 tppt? -113.61 113.87 25.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.497 HG22 HG12 ' A' 1124 ' ' VAL . 81.0 p -62.57 114.23 3.44 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 26.4 pt -95.99 -12.27 8.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.352 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' 1123 ' ' PHE . 42.0 m-85 -130.88 158.54 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.435 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 6.4 p-10 -91.99 134.29 34.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 0.0 110.094 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 42.7 t -121.91 112.72 18.65 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.886 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.79 97.18 10.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.443 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -52.83 129.98 31.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.228 -178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -95.95 -34.35 11.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.54 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' 1085 ' ' GLU . 48.3 t-20 -92.94 147.25 22.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.89 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.63 -21.68 61.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.209 0.528 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.28 3.42 54.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.852 0.834 . . . . 0.0 109.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' A' 1082 ' ' ASN . 20.0 tt0 -101.28 167.62 10.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.599 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' 1115 ' ' ARG . 50.4 tp -112.38 140.62 46.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.356 0.598 . . . . 0.0 112.269 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.7 m -103.2 126.05 50.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.58 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 25.6 p90 -157.84 166.12 33.51 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.035 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.643 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.65 168.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 2.9 mp0 -56.6 119.33 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.38 -2.92 13.99 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.821 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.45 142.84 28.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.994 0.425 . . . . 0.0 110.684 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' 1073 ' ' LYS . 47.3 t -99.2 125.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.552 HG12 HD13 ' A' 1109 ' ' ILE . 64.0 mt -113.11 133.27 59.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.486 HD11 ' OE2' ' A' 1110 ' ' GLU . 8.4 mt -93.18 117.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.586 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 60.5 t -70.28 110.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.571 -177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 45.0 p -111.05 -1.25 16.35 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.916 -175.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.65 165.6 38.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.579 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -136.13 120.67 18.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.933 0.397 . . . . 0.0 110.272 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.43 ' HG2' HG13 ' A' 1106 ' ' ILE . 17.7 mm-40 -95.03 -48.03 6.14 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.421 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.3 t70 -138.58 -165.04 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.236 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.439 ' H ' ' CG ' ' A' 1101 ' ' ASP . 37.0 mt-30 -80.67 -33.35 35.62 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.343 0.592 . . . . 0.0 109.547 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -115.98 11.52 15.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.803 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.8 m95 -135.35 110.76 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.715 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.4 m0 -116.48 167.21 11.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.43 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.1 mt -114.1 135.06 55.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.8 -178.01 41.14 Favored Glycine 0 N--CA 1.437 -1.272 0 C-N-CA 119.826 -1.178 . . . . 0.0 112.402 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.3 p-80 -133.39 148.71 51.83 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.483 -0.359 . . . . 0.0 110.548 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.552 HD13 HG12 ' A' 1094 ' ' ILE . 25.6 mm -62.07 124.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.486 ' OE2' HD11 ' A' 1095 ' ' ILE . 4.6 tp10 -61.51 127.42 31.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.279 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.37 -21.28 45.19 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.683 -176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.7 tp60 -141.75 88.08 9.74 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.19 -4.94 14.66 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.956 2.438 . . . . 0.0 112.565 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -67.14 -31.21 71.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.535 0.683 . . . . 0.0 109.332 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.624 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.6 mtt180 -98.74 97.2 8.47 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.591 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 48.5 pttt -148.27 162.37 39.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.099 0.476 . . . . 0.0 112.237 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.38 -154.06 25.24 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.809 -176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.6 m -88.48 142.4 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 117.218 0.509 . . . . 0.0 111.209 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.477 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.2 p90 -142.14 135.89 14.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.2 Cg_endo -67.82 123.25 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.79 2.326 . . . . 0.0 111.984 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' 1124 ' ' VAL . 19.6 t -65.27 -21.62 29.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.916 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 21.9 t -68.98 -10.57 58.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.691 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.443 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.4 m-85 -106.56 0.43 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.661 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.7 m -136.01 152.1 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.998 0.427 . . . . 0.0 112.012 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.58 119.78 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.589 HG13 HG12 ' A' 1072 ' ' VAL . 5.2 mp -72.93 132.51 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.349 0.595 . . . . 0.0 111.861 -172.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.102 -0.953 . . . . 0.0 108.632 175.722 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.516 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 9.7 tpt180 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1071 ' ' ARG . 44.0 mtt85 -120.07 154.51 34.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 36.0 m -137.21 162.83 33.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' 1093 ' ' VAL . 74.0 tttt -138.47 118.35 13.28 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' 1088 ' ' PHE . 60.0 p -57.74 119.39 6.56 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.956 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' 1125 ' ' HIS . 3.5 pt -104.94 -3.64 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.244 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -138.57 151.25 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.052 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.33 129.99 36.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 46.7 t -126.47 123.69 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.488 . . . . 0.0 110.061 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -105.57 99.36 8.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.062 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.68 112.62 2.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.458 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.382 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' 1084 ' ' ASP . 33.0 t30 -107.18 145.86 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.539 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.28 -12.37 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 111.424 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 8.1 m-20 -75.28 -21.74 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.395 0.617 . . . . 0.0 109.47 173.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 65.8 mt-10 -87.1 155.13 20.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.423 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' 1115 ' ' ARG . 59.0 tp -95.01 142.61 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.093 0.473 . . . . 0.0 110.81 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.4 m -107.23 123.87 48.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.486 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' 1074 ' ' THR . 12.5 p90 -150.15 158.37 44.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.623 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.01 165.92 12.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.85 115.04 1.96 Allowed 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.238 0.336 . . . . 0.0 110.921 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.14 6.04 11.19 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.372 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.409 ' HB3' HD12 ' A' 1109 ' ' ILE . 41.5 mt-10 -95.51 130.83 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.231 0.515 . . . . 0.0 109.63 173.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' 1073 ' ' LYS . 99.2 t -89.92 132.98 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.689 HG12 HD13 ' A' 1109 ' ' ILE . 51.7 mt -117.79 132.33 67.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.727 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.424 HG13 ' HG2' ' A' 1110 ' ' GLU . 25.6 mt -93.34 118.15 38.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.516 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 42.7 t -70.91 109.4 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.089 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 66.9 p -97.07 -5.57 37.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.108 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -174.24 167.63 40.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.894 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.453 ' HG2' ' CG ' ' A' 1105 ' ' TRP . 42.4 mt-10 -137.08 117.62 13.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.184 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.39 -54.43 3.92 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.446 0.641 . . . . 0.0 110.242 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 7.2 t70 -129.35 -166.15 1.61 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.441 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -78.44 -36.53 45.39 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.274 0.559 . . . . 0.0 109.795 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.585 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.0 pt-20 -115.46 13.57 16.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.848 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.585 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 96.6 m95 -138.03 104.49 5.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.43 0.633 . . . . 0.0 111.052 -176.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.1 m0 -113.42 168.43 9.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.416 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.3 mt -118.97 137.16 53.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.478 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.31 -168.37 33.64 Favored Glycine 0 N--CA 1.437 -1.285 0 C-N-CA 119.817 -1.183 . . . . 0.0 112.419 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.405 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -135.68 152.66 51.4 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 124.027 0.486 . . . . 0.0 109.965 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.689 HD13 HG12 ' A' 1094 ' ' ILE . 24.5 mm -74.52 133.83 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.424 ' HG2' HG13 ' A' 1095 ' ' ILE . 7.7 mm-40 -68.97 135.3 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.582 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 81.17 -17.65 12.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.631 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.468 HE21 ' HD2' ' A' 1115 ' ' ARG . 12.0 mt-30 -136.0 67.67 63.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.35 -5.79 15.88 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.968 2.445 . . . . 0.0 112.308 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.84 -10.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.992 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.581 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.9 mtt180 -99.98 96.39 7.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.861 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.405 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.9 mtmt -128.28 177.23 7.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.551 175.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 139.97 -165.3 25.97 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.906 173.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' 1105 ' ' TRP . 29.8 m -88.56 136.88 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 0.0 110.33 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.478 ' HE1' ' N ' ' A' 1107 ' ' GLY . 26.4 p90 -134.66 139.52 32.72 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.476 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.571 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.3 Cg_endo -69.64 122.81 9.52 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.586 2.19 . . . . 0.0 111.993 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.466 ' HA ' HG22 ' A' 1124 ' ' VAL . 38.3 t -64.34 -24.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.485 -175.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 -5.7 28.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.603 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -111.9 2.78 17.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.395 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.7 m -125.75 150.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.485 0.66 . . . . 0.0 112.292 -173.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.6 t60 -108.0 111.55 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.236 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.525 HG12 HG12 ' A' 1072 ' ' VAL . 45.7 mt -70.75 144.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.587 0.232 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.588 ' HG3' HG12 ' A' 1095 ' ' ILE . 5.9 mpt_? -119.83 154.62 34.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.464 . . . . 0.0 109.948 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -133.36 138.34 51.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.6 tmtt? -111.08 106.21 15.19 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.532 HG21 ' CD1' ' A' 1088 ' ' PHE . 69.6 p -56.69 126.25 25.95 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.908 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' 1125 ' ' HIS . 8.7 pt -111.87 1.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.227 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -137.77 140.12 40.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.833 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.23 134.35 37.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.188 0.518 . . . . 0.0 109.894 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 35.7 t -120.02 94.13 4.29 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.763 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -84.55 88.34 7.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.94 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.78 129.63 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.187 -174.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.42 -28.79 20.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.481 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -103.76 142.63 34.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.531 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.06 -17.75 63.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.85 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.89 -29.36 62.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.026 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.566 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 48.0 mt-10 -79.05 147.59 32.77 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.703 177.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.8 142.79 31.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.577 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.5 m -106.99 124.18 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.57 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.532 ' CD1' HG21 ' A' 1074 ' ' THR . 25.6 p90 -155.09 161.83 41.18 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 -178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.03 171.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.09 118.98 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.91 -4.26 14.3 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.253 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.74 129.55 34.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 110.27 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' 1073 ' ' LYS . 98.6 t -92.66 118.28 37.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.574 HG12 HD13 ' A' 1109 ' ' ILE . 42.3 mt -108.54 132.28 56.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.653 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.588 HG12 ' HG3' ' A' 1071 ' ' ARG . 19.8 mt -95.02 120.44 44.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.828 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 80.6 t -69.34 110.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.574 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 80.1 p -106.6 -15.76 14.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.365 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -155.92 174.12 33.88 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.709 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.99 133.16 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.839 0.319 . . . . 0.0 110.637 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.45 -45.24 4.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.267 0.556 . . . . 0.0 109.948 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.86 -171.11 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.9 -18.26 47.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.502 0.592 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.672 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.9 pt-20 -116.51 9.78 14.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.044 0.45 . . . . 0.0 110.328 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.672 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.7 m95 -141.04 104.56 4.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.31 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 51.5 m0 -112.51 164.35 13.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.814 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.14 136.67 51.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.457 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -166.79 -165.3 23.95 Favored Glycine 0 N--CA 1.437 -1.254 0 C-N-CA 119.443 -1.361 . . . . 0.0 112.413 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.433 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -138.78 151.96 47.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -177.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.574 HD13 HG12 ' A' 1094 ' ' ILE . 36.3 mm -75.38 127.6 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.12 128.87 38.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.5 -22.14 40.57 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.206 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -141.56 75.31 22.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.3 11.72 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.079 2.519 . . . . 0.0 113.218 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -92.27 -26.8 17.97 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -84.77 87.93 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.433 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 31.3 mtmt -122.44 177.53 5.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.212 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 145.51 -161.52 28.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.292 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 16.3 m -90.16 138.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 110.352 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.457 ' HE1' ' N ' ' A' 1107 ' ' GLY . 32.4 p90 -138.8 134.77 17.27 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.563 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' 1103 ' ' GLU . 22.0 Cg_endo -65.95 122.13 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.508 2.139 . . . . 0.0 111.965 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.67 -21.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.968 -175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.6 m -72.56 -2.6 20.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.42 -0.35 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.754 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.1 m -122.72 147.61 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.413 0.625 . . . . 0.0 112.085 -172.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -98.21 100.75 12.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.493 HG12 HG12 ' A' 1072 ' ' VAL . 52.6 mt -72.88 144.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.109 0.481 . . . . 0.0 112.042 -169.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' 1071 ' ' ARG . 3.2 mt . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.534 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 40.0 ttm180 . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.308 0.575 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.06 168.14 11.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 174.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -139.08 162.41 27.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 76.1 tttt -138.64 115.43 10.73 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.541 HG21 ' CD1' ' A' 1088 ' ' PHE . 70.1 p -59.42 124.75 21.05 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.088 -171.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' 1125 ' ' HIS . 15.8 pt -105.2 -1.15 9.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.282 0.563 . . . . 0.0 110.106 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.443 ' CD2' HG13 ' A' 1075 ' ' ILE . 86.8 m-85 -139.79 158.73 43.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.413 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 5.9 p-10 -90.39 140.25 29.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.302 0.573 . . . . 0.0 110.343 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 31.2 t -125.08 116.9 22.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.581 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.504 ' HA ' HG23 ' A' 1087 ' ' THR . 97.3 mt-30 -100.2 94.06 6.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.89 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.56 116.85 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.488 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -94.76 1.46 55.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.699 . . . . 0.0 109.664 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.659 ' HB3' ' HG2' ' A' 1085 ' ' GLU . 18.7 t30 -130.17 134.41 47.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -13.52 62.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.886 0.374 . . . . 0.0 111.644 -171.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.52 -17.61 47.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.659 ' HG2' ' HB3' ' A' 1082 ' ' ASN . 6.6 mm-40 -81.43 -169.66 2.4 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' 1115 ' ' ARG . 58.5 tp -130.75 141.07 50.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.99 0.424 . . . . 0.0 111.254 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.504 HG23 ' HA ' ' A' 1079 ' ' GLN . 5.5 m -103.48 123.43 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.811 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.541 ' CD1' HG21 ' A' 1074 ' ' THR . 15.2 p90 -153.61 165.55 35.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.26 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.0 167.78 16.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 1.5 mp0 -54.75 117.91 3.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.252 0.345 . . . . 0.0 110.82 -178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.8 -2.28 13.47 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.091 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -84.12 131.18 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.941 0.371 . . . . 0.0 110.455 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 94.3 t -87.55 135.47 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.549 HG12 HD13 ' A' 1109 ' ' ILE . 66.6 mt -129.5 138.82 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.5 mt -99.56 122.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 88.1 t -71.59 112.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.072 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 62.4 p -105.88 -17.6 14.31 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.88 178.01 38.75 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.18 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -137.58 134.02 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.674 0.274 . . . . 0.0 110.929 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -107.71 -50.7 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.26 0.552 . . . . 0.0 110.307 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -139.07 -179.83 6.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.904 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -77.19 -15.99 59.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 0.0 110.339 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.643 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.0 pt-20 -122.46 9.5 9.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.753 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.643 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 90.3 m95 -139.93 108.32 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.757 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.534 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 49.4 m0 -110.79 168.34 9.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.134 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' 1117 ' ' GLY . 81.9 mt -113.18 135.38 52.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.23 -177.87 42.04 Favored Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.613 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' 1113 ' ' PRO . 2.5 p-80 -132.57 150.8 52.1 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 123.651 0.265 . . . . 0.0 110.565 -176.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.549 HD13 HG12 ' A' 1094 ' ' ILE . 19.7 mm -58.95 124.91 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.546 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.58 129.44 39.87 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.47 -9.17 69.25 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.346 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -162.31 90.17 1.36 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.278 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' 1108 ' ' HIS . 21.3 Cg_exo -65.6 -7.6 16.79 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.399 2.733 . . . . 0.0 112.603 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.06 -41.78 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.478 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' 1086 ' ' LEU . 36.0 mtt180 -86.08 89.57 7.86 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.776 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.482 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -138.77 166.65 23.86 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.545 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 153.45 -151.57 23.31 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.4 m -92.82 140.39 16.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.013 0.435 . . . . 0.0 110.661 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.9 p90 -139.56 136.69 17.88 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.41 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.1 Cg_endo -65.51 123.61 11.68 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.731 2.287 . . . . 0.0 111.812 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' 1103 ' ' GLU . 12.5 t -65.01 -25.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.46 -175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.5 p -69.04 -16.28 63.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.2 m-85 -97.27 1.38 49.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.4 m -129.69 148.38 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.489 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.0 OUTLIER -104.08 121.32 42.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.541 HG12 HG12 ' A' 1072 ' ' VAL . 70.5 mt -75.02 136.25 25.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.364 0.602 . . . . 0.0 112.278 -170.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' 1073 ' ' LYS . 3.2 mt . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 17.6 tpp85 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.741 0.782 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 65.9 mtt180 -126.13 169.51 12.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.8 m -139.84 144.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' 1127 ' ' LEU . 9.7 tptp -108.38 106.49 16.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . . . . . . . . . 61.4 p -54.82 112.49 1.05 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.542 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.2 pt -102.52 5.33 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.53 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -145.08 139.96 27.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.141 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.39 118.63 11.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 173.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 41.4 t -117.22 107.21 14.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.147 0.498 . . . . 0.0 111.454 -177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -94.18 95.14 8.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.416 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -54.91 146.85 16.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.394 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.33 -35.05 12.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.486 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -114.07 158.43 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.87 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.0 -16.78 62.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.191 0.52 . . . . 0.0 110.091 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -67.73 -30.87 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.69 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.57 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 36.8 mt-10 -87.07 153.0 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 108.849 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.553 HD23 HD13 ' A' 1094 ' ' ILE . 45.0 tp -91.03 138.64 31.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.235 0.54 . . . . 0.0 111.146 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.5 m -104.83 120.4 41.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.349 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.673 ' HB3' HD11 ' A' 1109 ' ' ILE . 26.3 p90 -146.7 158.82 43.99 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.657 -175.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.683 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.45 157.97 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.305 0.574 . . . . 0.0 110.367 178.082 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.409 ' HG3' ' C ' ' A' 1075 ' ' ILE . 8.6 tt0 -58.66 116.71 3.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.62 -173.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.88 -3.02 14.8 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.029 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.86 159.76 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.651 0.738 . . . . 0.0 112.13 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.546 HG22 ' HE2' ' A' 1073 ' ' LYS . 39.9 t -98.44 126.32 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.224 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.624 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -114.11 129.05 70.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.4 121.36 47.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.557 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 78.6 t -72.27 112.98 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 124.044 0.84 . . . . 0.0 110.22 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 56.0 p -107.49 -2.6 20.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.354 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.45 174.17 46.67 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.887 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -140.71 136.8 32.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 -16.33 6.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 14.8 t70 -148.94 -170.74 3.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -92.64 -25.03 18.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 0.0 110.063 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.634 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.3 pt-20 -116.82 11.29 14.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 109.842 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.78 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 89.4 m95 -137.92 105.74 5.64 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.897 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.3 m0 -111.5 165.41 12.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.243 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.463 HG12 HG12 ' A' 1118 ' ' VAL . 98.8 mt -113.47 131.38 65.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.062 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.482 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.96 -176.17 40.01 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.9 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.6 p-80 -131.43 151.97 51.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.726 0.298 . . . . 0.0 110.989 -173.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' 1088 ' ' PHE . 23.7 mm -70.44 123.49 24.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.584 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.85 137.45 53.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.09 34.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.138 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -146.83 80.78 9.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.91 -5.05 12.48 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.89 2.393 . . . . 0.0 112.863 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -73.94 -28.01 61.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 109.861 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -94.35 92.03 6.98 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.569 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -139.99 161.96 36.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 162.82 -152.52 22.73 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.463 HG12 HG12 ' A' 1106 ' ' ILE . 23.9 m -96.88 132.29 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.327 0.584 . . . . 0.0 110.786 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.486 ' HZ ' HG22 ' A' 1096 ' ' VAL . 25.8 p90 -129.62 140.78 39.67 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.26 122.23 9.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.671 2.247 . . . . 0.0 111.752 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 12.1 t -67.71 -23.24 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.746 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 14.0 t -79.31 11.05 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -121.29 0.52 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 28.1 m -129.31 162.12 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 0.0 111.557 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.451 ' HB2' HG23 ' A' 1075 ' ' ILE . 3.2 t60 -117.32 103.84 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.533 HG12 HG12 ' A' 1072 ' ' VAL . 68.0 mt -62.15 132.44 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -169.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' 1073 ' ' LYS . 11.6 mt . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 114.841 -1.072 . . . . 0.0 108.294 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.509 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 7.2 tpt180 . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.598 0.237 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 72.3 mtm-85 -131.33 157.15 44.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.0 m -131.13 150.42 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.025 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' 1127 ' ' LEU . 18.3 tptm -116.21 102.84 9.94 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.548 HG22 HG12 ' A' 1124 ' ' VAL . 68.2 p -53.97 132.4 42.16 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.025 0.441 . . . . 0.0 111.462 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.8 pt -118.97 -6.45 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' 1075 ' ' ILE . 96.0 m-85 -133.14 143.61 49.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.953 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.03 132.33 51.6 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.933 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 50.7 t -133.38 94.43 3.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 110.318 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.575 ' HA ' HG23 ' A' 1087 ' ' THR . 6.8 pt20 -92.75 95.11 9.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.625 0.726 . . . . 0.0 109.881 176.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.8 141.65 37.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.027 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.4 -34.18 10.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.509 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.526 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 10.7 m120 -90.14 159.74 16.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.31 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.08 -23.99 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.472 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.76 -23.1 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.795 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.526 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 62.0 mt-10 -75.58 145.8 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.61 HD21 HG12 ' A' 1109 ' ' ILE . 53.9 tp -91.62 141.6 28.53 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.282 0.563 . . . . 0.0 111.167 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.575 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.5 m -101.46 123.15 45.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.688 176.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -154.62 162.03 41.32 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.7 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.0 166.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.02 119.01 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.16 0.288 . . . . 0.0 110.623 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.99 -0.59 14.88 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.536 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.411 ' HG2' HD13 ' A' 1089 ' ' ILE . 10.1 mm-40 -84.6 136.07 33.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 110.711 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 28.7 t -91.77 124.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.448 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.565 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -116.8 129.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.98 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1071 ' ' ARG . 24.7 mt -91.53 119.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.509 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 59.6 t -69.99 113.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.408 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 57.5 p -108.24 -7.84 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.97 172.08 41.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -141.28 129.15 21.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 110.21 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -104.29 -54.14 2.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.901 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' 1102 ' ' GLN . 13.3 t70 -136.73 -167.48 2.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.72 -172.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.422 ' H ' ' CG ' ' A' 1101 ' ' ASP . 4.6 tp-100 -72.21 -38.34 69.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 0.0 109.729 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' 1120 ' ' PRO . 5.3 pt-20 -120.92 18.9 11.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.773 -174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 85.8 m95 -141.5 108.96 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.6 m0 -114.45 174.91 5.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.405 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.85 136.64 57.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -169.56 -166.37 28.46 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.577 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.55 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.5 OUTLIER -134.33 154.93 51.05 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.602 0.236 . . . . 0.0 110.387 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.61 HG12 HD21 ' A' 1086 ' ' LEU . 21.9 mm -75.15 132.39 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.43 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.47 ' HG2' HG13 ' A' 1095 ' ' ILE . 6.0 mm-40 -72.33 132.88 44.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.71 -34.01 4.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.589 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -134.79 72.78 68.21 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.03 -3.46 13.68 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 123.404 2.736 . . . . 0.0 112.99 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -81.08 -14.27 57.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.142 0.496 . . . . 0.0 110.16 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 33.9 mtt-85 -86.93 94.58 9.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.55 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.4 mtmp? -126.83 166.93 16.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.003 0.43 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.02 -157.73 27.44 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.015 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.0 m -89.24 140.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.07 0.462 . . . . 0.0 110.772 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 29.8 p90 -139.44 136.85 18.14 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.061 178.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.8 Cg_endo -66.88 122.07 9.36 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.447 ' HA ' HG22 ' A' 1124 ' ' VAL . 42.4 t -65.31 -28.23 43.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.005 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.9 m -66.53 -16.51 64.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.789 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.6 m-85 -99.58 2.9 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.493 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 26.7 m -127.74 157.44 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 0.0 111.945 -175.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -115.53 101.1 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 66.4 mt -61.63 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.313 0.577 . . . . 0.0 112.479 -172.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.1 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.463 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.526 HH11 HG11 ' A' 1096 ' ' VAL . 41.6 ttm180 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 121.008 0.433 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -127.74 148.63 50.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 HG12 ' A' 1126 ' ' ILE . 32.6 m -132.06 152.64 37.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' 1127 ' ' LEU . 14.7 tptp -118.92 104.14 10.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.436 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.559 HG22 HG12 ' A' 1124 ' ' VAL . 70.9 p -54.55 133.13 46.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.966 -175.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 12.4 pt -120.22 6.03 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.151 0.5 . . . . 0.0 111.025 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.535 ' N ' ' HB3' ' A' 1090 ' ' GLU . 79.3 m-85 -147.12 149.99 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.046 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.26 136.69 37.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 20.7 t -130.48 108.08 9.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -93.41 94.4 8.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.558 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -40.67 126.72 2.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 113.196 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -100.05 -30.21 12.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.587 ' HB2' ' HB2' ' A' 1085 ' ' GLU . 80.1 m-20 -94.35 148.81 21.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.397 175.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -11.3 60.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -103.79 5.45 36.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.93 . . . . 0.0 109.374 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.587 ' HB2' ' HB2' ' A' 1082 ' ' ASN . 30.5 tt0 -92.14 169.91 10.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.814 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.764 HD21 HG12 ' A' 1109 ' ' ILE . 54.9 tp -116.03 142.26 47.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.949 0.404 . . . . 0.0 111.262 -178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 8.2 m -102.06 124.13 47.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' 1074 ' ' THR . 29.5 p90 -151.17 162.21 41.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.125 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.97 155.48 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.213 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.535 ' HB3' ' N ' ' A' 1076 ' ' TYR . 2.1 pp20? -63.79 126.91 29.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.853 0.835 . . . . 0.0 111.082 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.68 -5.95 14.16 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.747 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.94 151.1 20.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.487 HG22 ' HE2' ' A' 1073 ' ' LYS . 20.1 t -95.33 126.62 47.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.306 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.59 HG12 HD13 ' A' 1109 ' ' ILE . 55.6 mt -116.15 131.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 28.0 mt -96.84 120.89 46.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.526 HG11 HH11 ' A' 1070 ' ' ARG . 44.6 t -73.23 111.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.406 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.416 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 59.2 p -106.7 -6.14 18.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.93 171.83 44.69 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.267 -0.492 . . . . 0.0 111.995 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -134.87 126.39 28.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.457 ' OE1' HG11 ' A' 1118 ' ' VAL . 1.9 pt-20 -113.21 -12.2 13.14 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.695 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.0 t70 -159.23 -173.65 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.28 -38.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.552 0.615 . . . . 0.0 110.036 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.1 pt-20 -112.46 16.07 19.98 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.722 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 81.9 m95 -138.09 104.6 5.27 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.627 0.727 . . . . 0.0 110.429 178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' 1118 ' ' VAL . 52.0 m0 -113.9 167.96 10.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.169 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.403 HG12 HG12 ' A' 1118 ' ' VAL . 91.1 mt -113.19 135.2 53.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.416 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -166.39 -164.75 22.54 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.094 -1.051 . . . . 0.0 112.041 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 1.7 p-80 -141.18 149.01 40.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.764 HG12 HD21 ' A' 1086 ' ' LEU . 17.7 mm -68.39 125.45 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.455 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 9.8 tp10 -70.81 130.05 40.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.95 11.21 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.18 -172.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -132.64 78.8 66.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.06 -11.78 33.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 123.202 2.601 . . . . 0.0 113.075 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -77.56 -20.59 53.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.422 0.629 . . . . 0.0 109.947 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.455 ' HB3' HD11 ' A' 1086 ' ' LEU . 14.6 mmt180 -86.72 86.83 7.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.482 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 18.1 mtmm -125.98 171.9 10.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.409 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.4 -164.42 27.68 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.344 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.3 m -88.27 140.85 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.203 0.525 . . . . 0.0 110.795 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.445 ' HZ ' HG22 ' A' 1096 ' ' VAL . 27.6 p90 -138.46 139.73 25.79 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.4 Cg_endo -67.54 117.28 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.617 2.211 . . . . 0.0 111.971 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.4 ' HA ' HG22 ' A' 1124 ' ' VAL . 30.9 t -64.69 -27.82 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.098 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.0 m -65.76 -13.53 59.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 5.3 m-85 -102.35 1.73 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.2 m -124.65 156.03 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.802 0.334 . . . . 0.0 111.339 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.88 105.76 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.586 HG12 HG12 ' A' 1072 ' ' VAL . 39.8 mt -67.63 137.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.161 0.505 . . . . 0.0 111.831 -171.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.8 mt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.791 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.625 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 mtt180 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.168 0.509 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 82.7 mtt85 -129.8 161.16 31.39 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 175.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.6 m -142.49 144.5 24.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -114.33 115.51 27.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.135 0.493 . . . . 0.0 109.757 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' 1088 ' ' PHE . 82.3 p -56.18 111.54 0.99 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.997 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.502 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.7 pt -101.35 3.9 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.445 0.641 . . . . 0.0 109.853 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' 1123 ' ' PHE . 94.8 m-85 -137.62 138.46 39.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.793 176.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.33 128.09 35.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.411 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' 1088 ' ' PHE . 53.6 t -127.77 93.65 3.75 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.022 0.439 . . . . 0.0 110.738 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -89.13 89.02 7.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.119 0.485 . . . . 0.0 109.723 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -49.87 141.95 9.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.526 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.05 -32.02 12.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.412 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.29 150.68 35.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.58 -5.4 45.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.09 0.471 . . . . 0.0 110.812 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.41 -27.23 56.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.759 0.79 . . . . 0.0 109.276 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 25.9 mt-10 -87.04 147.24 25.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.79 139.07 32.21 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.705 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 4.9 m -102.22 124.77 48.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.51 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' 1074 ' ' THR . 14.7 p90 -157.92 163.97 37.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.087 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.684 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.12 166.19 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -53.71 120.73 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.228 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.15 -4.73 15.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.796 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' 1089 ' ' ILE . 24.3 mm-40 -82.12 131.07 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.068 0.461 . . . . 0.0 110.555 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 99.0 t -87.74 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.548 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 72.9 mt -121.43 135.06 62.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' 1110 ' ' GLU . 6.7 mt -94.75 119.24 42.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.625 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 40.4 t -71.39 112.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.487 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.539 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 65.2 p -100.55 -20.38 15.73 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.07 176.23 40.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.71 138.06 45.61 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.434 ' OE1' HG11 ' A' 1118 ' ' VAL . 4.5 pt-20 -113.71 -31.06 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.34 0.59 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 18.5 t70 -140.7 -179.64 6.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.0 -26.42 36.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.096 0.474 . . . . 0.0 110.164 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.2 pt-20 -115.01 10.45 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.258 0.551 . . . . 0.0 110.46 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.787 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 90.5 m95 -137.16 109.98 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.777 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.5 m0 -112.05 166.03 11.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.536 HG12 HG12 ' A' 1118 ' ' VAL . 97.1 mt -121.77 137.44 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.049 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.539 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.97 -158.14 15.43 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 119.739 -1.219 . . . . 0.0 112.162 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.489 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.5 p-80 -145.39 148.65 33.57 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' 1115 ' ' ARG . 1.0 OUTLIER -67.13 124.82 23.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.712 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.462 ' HB2' HG13 ' A' 1095 ' ' ILE . 7.7 tt0 -61.58 118.76 7.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.479 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.63 -22.75 37.34 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.243 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.486 HE21 HG22 ' A' 1109 ' ' ILE . 1.9 mp0 -124.8 81.0 61.97 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 109.946 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.98 -4.89 16.15 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.297 2.665 . . . . 0.0 113.196 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -86.33 1.65 50.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.542 0.687 . . . . 0.0 110.017 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.576 ' HB3' HG13 ' A' 1109 ' ' ILE . 8.1 mmt85 -120.46 86.64 2.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.405 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 26.8 mtmt -118.46 177.16 4.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 143.5 -161.6 27.69 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.789 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.536 HG12 HG12 ' A' 1106 ' ' ILE . 14.6 m -98.22 144.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.851 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.422 ' CE2' HG21 ' A' 1072 ' ' VAL . 18.1 p90 -140.27 133.97 15.27 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 125.47 14.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.574 2.182 . . . . 0.0 111.346 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.424 HG23 ' C ' ' A' 1103 ' ' GLU . 13.7 t -64.86 -27.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.576 -173.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 t -76.05 -7.62 55.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.664 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.526 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 6.3 m-85 -97.25 -0.49 46.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.476 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 35.4 m -130.96 153.76 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 112.18 -174.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.437 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.54 106.43 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.885 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.573 HG12 HG12 ' A' 1072 ' ' VAL . 51.3 mt -70.03 143.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' 1071 ' ' ARG . 9.1 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.218 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.463 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 tpt180 . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -126.36 173.2 9.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.9 m -141.72 147.63 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.569 ' HE2' ' HA2' ' A' 1091 ' ' GLY . 22.5 tptm -113.15 104.54 12.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.551 HG22 HG12 ' A' 1124 ' ' VAL . 72.3 p -54.63 123.15 12.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.101 0.477 . . . . 0.0 111.57 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' 1076 ' ' TYR . 6.4 pt -107.82 -3.56 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.439 ' CD2' HG13 ' A' 1075 ' ' ILE . 81.3 m-85 -136.0 151.82 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.76 123.3 25.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.683 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.463 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.2 t -125.21 103.36 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.055 0.455 . . . . 0.0 110.196 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' 1087 ' ' THR . 75.2 mt-30 -95.96 95.29 8.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.707 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.21 130.76 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.294 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -83.92 -29.29 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.584 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -107.56 149.12 28.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.024 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.91 -8.06 55.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.208 0.528 . . . . 0.0 110.126 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.37 -22.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.217 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.561 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 29.8 mt-10 -102.15 153.15 20.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.622 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.463 HD23 HD13 ' A' 1094 ' ' ILE . 58.0 tp -90.91 139.88 30.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.342 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' 1079 ' ' GLN . 6.8 m -100.86 130.31 46.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.35 176.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 20.3 p90 -159.51 166.32 31.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 167.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.14 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.85 114.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.421 0.451 . . . . 0.0 110.875 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . 0.569 ' HA2' ' HE2' ' A' 1073 ' ' LYS . . . 118.24 5.88 12.67 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.003 -0.618 . . . . 0.0 113.152 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.471 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.0 mm-40 -89.11 143.82 26.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.0 110.545 175.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 47.4 t -102.06 125.77 56.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.824 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.614 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -118.74 138.31 49.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.734 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.611 HD13 ' CD2' ' A' 1108 ' ' HIS . 3.9 mp -93.4 122.54 44.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 62.1 t -69.16 108.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.44 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.1 p -112.72 1.72 15.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.644 -174.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.4 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.426 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -141.73 120.4 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.619 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.2 mm-40 -96.11 -43.08 7.91 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.564 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -148.43 -162.02 1.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.45 -31.17 24.73 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.641 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.4 pt-20 -110.37 11.26 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.078 0.466 . . . . 0.0 110.75 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.641 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.1 m95 -139.62 107.97 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.865 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -116.45 165.85 12.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.153 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' 1100 ' ' GLU . 80.3 mt -114.1 140.89 32.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.473 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -165.45 -174.98 35.62 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.557 -1.306 . . . . 0.0 112.804 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' 1095 ' ' ILE . 2.0 p-80 -136.86 146.39 45.52 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.614 HD13 HG12 ' A' 1094 ' ' ILE . 21.1 mm -67.06 135.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.574 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.499 ' HG2' HD11 ' A' 1095 ' ' ILE . 1.5 mm-40 -53.15 115.99 2.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 175.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.97 -11.06 69.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.891 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -133.91 92.4 22.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.794 0.33 . . . . 0.0 111.308 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.83 0.42 6.48 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.857 2.371 . . . . 0.0 110.461 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.26 -36.08 22.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.028 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -90.55 90.97 8.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.173 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.505 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.4 mtmm -132.19 173.94 10.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.843 0.354 . . . . 0.0 110.605 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 142.07 -167.04 26.16 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.156 174.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.1 m -83.96 143.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' 1072 ' ' VAL . 31.7 p90 -144.59 134.33 11.62 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' 1103 ' ' GLU . 27.7 Cg_endo -65.06 124.63 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.72 2.28 . . . . 0.0 111.565 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.2 t -65.18 -25.07 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.576 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 33.0 t -75.88 -3.8 37.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.439 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 13.5 m-85 -102.66 0.59 33.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.2 m -132.37 159.7 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.218 -176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -116.36 108.1 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.57 HG12 HG12 ' A' 1072 ' ' VAL . 60.0 mt -65.77 141.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -168.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.449 -0.493 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.288 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 121.674 0.749 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' ' CZ3' ' A' 1105 ' ' TRP . 10.3 ptp85 -78.87 163.88 24.93 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.93 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.44 ' HG2' HG12 ' A' 1095 ' ' ILE . 50.2 mtt85 -119.02 146.72 44.8 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.869 0.366 . . . . 0.0 110.813 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 HG12 ' A' 1126 ' ' ILE . 31.5 m -129.93 148.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.138 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.447 ' HE2' HG22 ' A' 1093 ' ' VAL . 18.0 tptp -117.36 103.11 9.81 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.628 HG22 HG12 ' A' 1124 ' ' VAL . 80.6 p -53.78 122.41 9.9 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.207 0.527 . . . . 0.0 111.829 -174.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1125 ' ' HIS . 10.6 pt -106.61 -3.03 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -139.12 148.36 43.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.205 176.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.26 136.83 36.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.954 0.406 . . . . 0.0 110.278 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 33.8 t -124.37 103.96 8.5 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.142 0.496 . . . . 0.0 110.04 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -89.63 90.28 8.18 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.867 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.85 151.71 38.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.384 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -116.4 -33.29 4.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.087 0.47 . . . . 0.0 110.154 176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -92.8 150.5 20.59 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.4 -12.62 60.29 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.41 -177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -78.33 -27.33 47.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.869 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.626 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 43.2 mt-10 -81.49 151.9 27.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.312 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.495 HD11 ' HB3' ' A' 1115 ' ' ARG . 61.4 tp -96.07 140.7 30.41 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.646 176.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 2.3 m -106.24 122.33 46.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.644 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' 1074 ' ' THR . 21.9 p90 -152.19 165.22 35.49 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.221 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.655 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.86 171.66 12.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.28 116.39 3.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.31 -3.12 14.03 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.8 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -79.03 138.09 37.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.93 0.395 . . . . 0.0 110.474 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 21.8 t -91.02 130.33 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 174.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 59.5 mt -123.44 130.49 74.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.501 HG13 ' HB2' ' A' 1110 ' ' GLU . 20.5 mt -94.61 116.61 36.37 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.48 HG22 ' HZ ' ' A' 1119 ' ' PHE . 91.8 t -69.17 117.69 12.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.936 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 70.4 p -112.09 -12.5 13.67 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.12 175.46 41.64 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -135.65 136.18 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.86 0.362 . . . . 0.0 110.741 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -110.57 -50.45 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.66 176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 38.2 t70 -143.5 -178.73 6.03 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.549 -177.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.694 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 15.2 pt20 -68.54 -31.94 71.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.995 0.426 . . . . 0.0 110.097 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.707 ' O ' ' HA ' ' A' 1120 ' ' PRO . 29.5 mm-40 -107.97 4.21 24.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.381 -176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.487 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 92.7 m95 -138.81 103.85 4.93 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.297 0.57 . . . . 0.0 111.074 -172.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.487 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 46.1 m0 -111.36 167.36 10.36 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.825 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' 1117 ' ' GLY . 92.8 mt -113.44 133.77 58.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.484 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.52 -174.13 39.59 Favored Glycine 0 N--CA 1.434 -1.475 0 C-N-CA 120.149 -1.024 . . . . 0.0 111.903 -177.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.52 ' CB ' ' HB3' ' A' 1116 ' ' LYS . 2.2 p-80 -134.4 151.03 50.95 Favored 'General case' 0 C--N 1.315 -0.926 0 O-C-N 123.75 0.323 . . . . 0.0 110.26 -175.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.611 HD13 HG12 ' A' 1094 ' ' ILE . 27.2 mm -65.31 121.86 15.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 173.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 12.8 tt0 -68.05 128.26 35.88 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.51 -13.85 65.9 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.958 -175.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -154.32 78.52 5.19 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -71.25 -2.74 11.65 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.287 2.658 . . . . 0.0 113.353 -169.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -82.87 -13.32 56.35 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.035 0.445 . . . . 0.0 110.472 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.495 ' HB3' HD11 ' A' 1086 ' ' LEU . 80.0 mtt180 -91.47 93.52 9.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 170.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.52 ' HB3' ' CB ' ' A' 1108 ' ' HIS . 21.1 pttm -148.75 161.34 41.97 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 154.88 -144.15 10.76 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.414 -1.075 . . . . 0.0 110.414 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 28.8 m -94.94 141.67 14.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 117.168 0.484 . . . . 0.0 110.571 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.484 ' HE1' ' N ' ' A' 1107 ' ' GLY . 34.3 p90 -142.18 140.22 19.03 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.707 ' HA ' ' O ' ' A' 1103 ' ' GLU . 36.5 Cg_endo -68.95 126.62 14.08 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.733 2.289 . . . . 0.0 112.621 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 23.0 t -71.26 -28.18 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.224 -175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.24 4.15 7.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.335 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -112.86 -0.54 14.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.131 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.628 HG12 HG22 ' A' 1074 ' ' THR . 28.0 m -124.61 155.24 32.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.802 0.334 . . . . 0.0 111.478 -175.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.509 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.9 t60 -108.27 106.2 16.25 Favored 'General case' 0 C--O 1.222 -0.371 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.6 HG12 HG12 ' A' 1072 ' ' VAL . 38.2 mt -76.73 134.01 29.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.603 0.716 . . . . 0.0 112.223 -170.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.0 OUTLIER -114.95 129.64 56.75 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.636 172.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 2.9 p -80.8 45.11 0.78 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.783 0.802 . . . . 0.0 109.532 175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 C--O 1.251 1.138 0 CA-C-N 114.453 -1.249 . . . . 0.0 110.951 -174.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 51.9 t . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.695 ' HA ' ' HA ' ' A' 1128 ' ' SER . 36.6 ttm180 -72.99 110.31 7.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.168 0.509 . . . . 0.0 110.588 -177.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -114.47 152.74 31.15 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.5 m -128.94 154.58 40.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.3 tmtt? -128.19 113.99 16.41 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.504 HG22 HG12 ' A' 1124 ' ' VAL . 69.0 p -61.0 133.17 55.83 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.467 -170.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.578 HG23 ' HB2' ' A' 1125 ' ' HIS . 12.7 pt -112.14 -10.37 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.448 ' CD2' HG13 ' A' 1075 ' ' ILE . 68.2 m-85 -133.41 153.32 51.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.455 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 t70 -74.13 130.05 39.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 174.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 37.9 t -119.84 112.54 19.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -97.19 96.61 8.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.675 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.568 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.37 145.24 54.34 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.995 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 27.7 t70 -112.53 -34.11 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.274 0.559 . . . . 0.0 109.914 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.535 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 23.8 t30 -92.3 140.81 29.23 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.35 -11.37 60.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.978 0.418 . . . . 0.0 111.137 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 1.7 m-20 -88.98 -4.13 58.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.973 0.416 . . . . 0.0 110.691 174.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.568 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 60.3 mt-10 -94.63 153.04 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 174.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.5 tp -96.77 137.43 35.87 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.473 0.654 . . . . 0.0 111.309 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.0 m -105.54 123.65 48.25 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.814 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.446 ' CD1' HG21 ' A' 1074 ' ' THR . 22.9 p90 -151.82 159.69 43.8 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.432 -176.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.513 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.46 168.78 12.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.704 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.518 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.66 116.61 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.496 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . 0.512 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.05 3.95 12.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.423 -0.894 . . . . 0.0 113.142 175.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -96.88 136.95 36.71 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.235 0.517 . . . . 0.0 110.57 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.8 t -89.75 136.44 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.868 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.616 HG12 HD13 ' A' 1109 ' ' ILE . 55.2 mt -126.36 137.25 58.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.1 mt -100.73 120.55 50.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.403 HG22 ' HZ ' ' A' 1119 ' ' PHE . 98.1 t -69.77 113.28 5.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.561 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.43 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 66.8 p -109.0 -15.74 14.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 -177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.18 179.31 39.78 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.297 -0.477 . . . . 0.0 112.105 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -142.22 141.77 32.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.834 0.35 . . . . 0.0 110.764 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -110.16 -54.76 2.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.418 0.628 . . . . 0.0 110.087 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' 1102 ' ' GLN . 21.2 t70 -136.9 -173.13 3.36 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.942 -1.026 . . . . 0.0 109.355 -175.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.417 ' H ' ' CG ' ' A' 1101 ' ' ASP . 12.5 pt20 -75.4 -23.58 57.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.172 0.511 . . . . 0.0 110.176 -178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -121.42 13.48 11.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.791 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . . . . . . . . . 93.0 m95 -141.8 106.48 4.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.604 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.1 m0 -111.78 167.43 10.37 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.6 mt -117.33 136.38 54.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.266 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.43 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.12 -162.33 23.28 Favored Glycine 0 N--CA 1.436 -1.342 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.146 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.469 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.3 p-80 -144.05 148.95 35.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.616 HD13 HG12 ' A' 1094 ' ' ILE . 24.4 mm -62.95 125.95 20.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -65.77 122.93 18.43 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.021 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.36 -31.64 7.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.019 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -118.07 81.57 16.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.804 0.335 . . . . 0.0 110.139 177.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.92 1.09 8.08 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.617 2.211 . . . . 0.0 113.211 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -87.48 -13.15 43.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.253 0.549 . . . . 0.0 109.728 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.543 ' HD3' HG13 ' A' 1109 ' ' ILE . 38.8 mtt180 -98.76 90.65 4.76 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.113 176.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.469 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.3 mtmp? -131.33 166.61 20.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.56 178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 146.31 -161.22 28.32 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.728 -0.748 . . . . 0.0 111.856 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.9 m -86.9 140.15 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.022 0.439 . . . . 0.0 110.626 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.403 ' HZ ' HG22 ' A' 1096 ' ' VAL . 31.6 p90 -138.09 134.35 17.84 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.426 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.89 122.2 10.16 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.661 2.241 . . . . 0.0 111.857 179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 -24.43 35.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.243 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.5 m -69.76 -9.35 54.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.662 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -107.78 0.5 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.764 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.608 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.4 m -125.29 147.02 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.132 0.491 . . . . 0.0 112.157 -173.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.578 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.2 t60 -107.48 113.84 27.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.325 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.589 HG12 HG12 ' A' 1072 ' ' VAL . 21.3 mt -81.24 138.01 20.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 121.271 0.558 . . . . 0.0 112.322 -168.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 0.7 OUTLIER -106.8 -51.6 2.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.435 178.41 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . 0.695 ' HA ' ' HA ' ' A' 1070 ' ' ARG . 4.8 t 56.02 38.49 29.99 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.92 0.867 . . . . 0.0 109.613 -172.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.896 -1.047 . . . . 0.0 108.864 -179.169 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.657 0.265 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.418 ' HD2' HG11 ' A' 1096 ' ' VAL . 20.8 ttm180 -108.17 111.3 23.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.461 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 38.5 mtm180 -121.87 166.34 14.54 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.617 HG12 HD13 ' A' 1126 ' ' ILE . 35.9 m -138.95 160.96 29.66 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.601 ' HB2' HD21 ' A' 1127 ' ' LEU . 75.3 tttt -132.12 117.2 17.99 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.549 ' HA ' HG12 ' A' 1124 ' ' VAL . 50.3 p -63.44 132.31 50.99 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.531 -173.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 41.0 pt -115.48 -12.17 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.484 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -133.15 143.02 48.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -62.79 132.48 52.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.092 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.0 t -125.77 116.14 21.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.289 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -108.77 112.01 24.06 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 121.572 0.701 . . . . 0.0 110.127 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -61.46 124.25 20.12 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.756 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.7 t70 -97.65 -25.26 15.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.44 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 37.3 m-80 -106.55 179.7 4.19 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.111 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.78 -42.56 49.86 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -176.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -92.01 0.56 57.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.382 0.61 . . . . 0.0 111.522 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' 1082 ' ' ASN . 56.6 mt-10 -79.8 139.42 37.24 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' 1115 ' ' ARG . 53.8 tp -87.62 140.59 29.36 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 120.097 -0.641 . . . . 0.0 110.975 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.4 m -101.83 126.51 48.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.107 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.468 ' CD1' HG21 ' A' 1074 ' ' THR . 16.5 p90 -156.05 157.89 36.88 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.552 -178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -114.67 160.65 13.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.507 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -55.85 117.54 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.328 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.76 -2.52 15.19 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.987 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -88.08 137.4 32.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.999 0.428 . . . . 0.0 109.851 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 72.8 t -93.27 129.46 43.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-O 121.172 0.511 . . . . 0.0 109.809 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.586 HG12 HD13 ' A' 1109 ' ' ILE . 62.9 mt -115.05 137.84 47.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.617 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.527 HD11 ' OE2' ' A' 1110 ' ' GLU . 9.8 mt -98.08 118.13 44.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.418 HG11 ' HD2' ' A' 1070 ' ' ARG . 52.8 t -69.98 111.38 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.386 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 60.7 p -113.85 -3.33 13.46 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.86 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.05 172.03 40.59 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.263 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -140.28 136.07 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.968 0.413 . . . . 0.0 110.717 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.6 mm-40 -109.25 -48.87 3.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.303 0.573 . . . . 0.0 110.757 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' 1102 ' ' GLN . 22.9 t70 -149.35 -163.94 1.9 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.038 -172.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.493 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.9 tt0 -73.15 -34.13 65.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.407 0.622 . . . . 0.0 110.104 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' 1120 ' ' PRO . 4.7 pt-20 -122.99 14.84 9.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.988 -173.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.471 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.3 m95 -136.61 110.72 8.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.231 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.425 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.0 m0 -114.92 171.06 7.88 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.871 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.471 HG13 ' HG2' ' A' 1100 ' ' GLU . 75.1 mt -119.13 136.36 56.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.558 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.14 -179.81 45.01 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 119.989 -1.101 . . . . 0.0 111.908 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.504 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.6 p-80 -127.46 153.51 46.2 Favored 'General case' 0 C--N 1.314 -0.97 0 O-C-N 123.814 0.361 . . . . 0.0 110.681 -175.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.586 HD13 HG12 ' A' 1094 ' ' ILE . 33.5 mm -65.62 121.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.031 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.527 ' OE2' HD11 ' A' 1095 ' ' ILE . 5.4 tp10 -65.2 122.55 17.34 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 177.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.53 -7.31 68.43 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.29 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -150.36 79.66 7.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -71.85 -2.47 11.51 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.099 2.532 . . . . 0.0 114.931 -168.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -77.35 -34.27 55.18 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.871 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.533 ' HB3' HD11 ' A' 1086 ' ' LEU . 49.3 mtt180 -85.81 97.25 10.07 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.657 -178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.504 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 20.9 pttp -139.76 160.11 40.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.521 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.64 -157.53 29.25 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.6 m -86.78 138.53 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 0.0 110.86 178.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.558 ' HE1' ' N ' ' A' 1107 ' ' GLY . 33.3 p90 -139.9 137.36 18.24 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.618 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' 1103 ' ' GLU . 32.5 Cg_endo -67.49 122.91 10.18 Favored 'Trans proline' 0 CA--C 1.529 0.243 0 C-N-CA 122.833 2.355 . . . . 0.0 112.14 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 24.6 t -64.33 -28.28 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.29 -176.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 6.3 m -70.75 -16.99 62.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -93.52 3.39 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.382 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' 1074 ' ' THR . 32.7 m -134.23 165.11 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.074 0.464 . . . . 0.0 110.971 -177.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.4 OUTLIER -106.82 161.84 14.33 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 167.485 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.617 HD13 HG12 ' A' 1072 ' ' VAL . 30.8 mm -97.89 142.3 14.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 120.785 0.326 . . . . 0.0 110.404 -178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.601 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.3 mt -119.77 126.81 51.93 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.72 178.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 t -92.86 8.57 39.03 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 170.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.425 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.954 0.407 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 -126.64 124.55 40.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.92 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.596 ' HG2' HG12 ' A' 1095 ' ' ILE . 73.7 mtm180 -126.34 168.17 14.52 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.553 ' CG2' ' HB ' ' A' 1094 ' ' ILE . 29.3 m -137.99 161.11 32.84 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.665 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.5 tmtt? -133.4 116.67 16.33 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.539 HG22 HG12 ' A' 1124 ' ' VAL . 80.4 p -64.58 129.79 41.18 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.908 -172.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 39.4 pt -108.01 -3.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.043 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.439 ' HA ' ' HG2' ' A' 1090 ' ' GLU . 40.8 m-85 -138.98 156.92 46.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.422 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.17 130.47 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.252 173.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.588 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 12.4 t -139.99 94.83 2.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.345 0.593 . . . . 0.0 109.54 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.605 ' HA ' HG23 ' A' 1087 ' ' THR . 27.1 mt-30 -90.63 107.91 19.47 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.517 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -42.04 133.07 3.08 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.696 -1.593 . . . . 0.0 113.733 -177.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.15 -31.48 15.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.475 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -117.85 156.61 28.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.907 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.29 -20.26 66.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.354 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 7.1 m-20 -86.71 -12.64 47.72 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.997 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.472 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 70.8 mt-10 -87.81 153.72 21.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.548 HD11 ' HB3' ' A' 1115 ' ' ARG . 55.7 tp -97.72 143.03 28.79 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.288 0.566 . . . . 0.0 111.211 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.605 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.4 m -101.44 121.17 41.45 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.722 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 15.4 p90 -154.47 166.27 33.8 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.317 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 171.91 13.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' 1076 ' ' TYR . 26.5 mt-10 -56.44 113.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 123.382 0.427 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.87 4.34 12.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.305 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.416 ' HG2' HD13 ' A' 1089 ' ' ILE . 55.3 mm-40 -90.3 139.93 30.18 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.08 0.467 . . . . 0.0 110.813 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.9 t -102.16 130.89 51.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.838 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.626 HG12 HD13 ' A' 1109 ' ' ILE . 57.2 mt -121.24 139.0 49.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.998 -177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.596 HG12 ' HG2' ' A' 1071 ' ' ARG . 9.8 mt -93.5 124.36 45.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 60.7 t -71.54 110.83 4.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.972 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.586 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 68.6 p -114.29 -1.27 13.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.397 -176.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.59 171.76 43.84 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.629 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -143.48 135.16 26.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 117.114 0.457 . . . . 0.0 110.659 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -114.94 -48.0 2.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.526 0.679 . . . . 0.0 110.49 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.611 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 25.8 t70 -135.42 -172.83 3.18 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.898 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.404 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.5 tt0 -77.14 -34.22 56.61 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 177.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.551 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.5 pt-20 -113.38 16.47 18.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.723 -178.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.611 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 88.3 m95 -141.55 104.29 4.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.501 178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.494 ' O ' ' HA ' ' A' 1118 ' ' VAL . 54.5 m0 -112.56 171.3 7.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.82 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 89.0 mt -116.33 138.75 45.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.586 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -174.2 -166.06 31.71 Favored Glycine 0 N--CA 1.433 -1.532 0 C-N-CA 119.708 -1.235 . . . . 0.0 112.462 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.488 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 2.1 p-80 -140.41 150.46 43.91 Favored 'General case' 0 C--N 1.316 -0.869 0 O-C-N 123.854 0.385 . . . . 0.0 110.307 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.626 HD13 HG12 ' A' 1094 ' ' ILE . 21.2 mm -68.44 127.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.479 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.498 ' HG2' HG13 ' A' 1095 ' ' ILE . 3.4 mm-40 -60.03 118.55 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.283 175.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.88 -13.64 67.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.199 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -132.69 78.66 66.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -68.61 -9.24 25.53 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.948 2.432 . . . . 0.0 112.558 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -78.76 -21.28 48.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.407 0.623 . . . . 0.0 109.559 176.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.548 ' HB3' HD11 ' A' 1086 ' ' LEU . 10.2 mmt180 -93.67 92.19 7.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.21 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.7 mtmt -131.69 175.88 8.81 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.543 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 137.92 -163.77 25.56 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.834 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' 1105 ' ' TRP . 22.4 m -86.29 137.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.161 0.505 . . . . 0.0 110.256 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.456 ' HE1' ' N ' ' A' 1107 ' ' GLY . 28.1 p90 -133.13 136.92 28.29 Favored Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.21 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.551 ' HA ' ' O ' ' A' 1103 ' ' GLU . 39.7 Cg_endo -69.41 119.53 6.48 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 122.508 2.139 . . . . 0.0 111.786 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.602 ' HA ' HG22 ' A' 1124 ' ' VAL . 16.1 t -68.99 -21.25 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.318 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.0 p -72.21 -8.75 56.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.808 176.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.3 m-85 -107.95 6.7 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.602 HG22 ' HA ' ' A' 1121 ' ' VAL . 19.0 m -138.8 170.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.689 0.757 . . . . 0.0 112.094 -175.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' 1072 ' ' VAL . 0.2 OUTLIER -113.96 156.35 24.18 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.074 169.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.475 HG13 HG12 ' A' 1072 ' ' VAL . 2.9 mp -100.61 138.31 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.986 0.422 . . . . 0.0 110.624 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.665 HD21 ' HB2' ' A' 1073 ' ' LYS . 7.2 mt -107.69 130.47 54.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.363 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 78.8 p -86.94 3.07 47.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 122.116 0.96 . . . . 0.0 108.826 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 113.898 -1.501 . . . . 0.0 109.747 -179.344 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 121.558 0.694 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.497 ' HD2' HG11 ' A' 1096 ' ' VAL . 40.0 ttm180 -131.69 115.1 15.59 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.513 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.623 ' HG2' HG12 ' A' 1095 ' ' ILE . 88.2 mtm180 -126.29 147.56 49.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.378 178.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.579 HG12 HG12 ' A' 1126 ' ' ILE . 25.5 m -129.35 153.85 39.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -124.27 113.31 18.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.077 0.465 . . . . 0.0 109.76 175.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.584 HG22 HG12 ' A' 1124 ' ' VAL . 76.4 p -56.07 128.9 37.68 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.058 -176.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.7 pt -112.65 -2.49 10.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.518 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.413 ' CD2' HG13 ' A' 1075 ' ' ILE . 84.6 m-85 -136.16 138.26 41.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.879 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.42 131.33 46.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.716 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.699 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.0 t -141.13 94.95 2.76 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.593 0.711 . . . . 0.0 109.858 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.589 ' HA ' HG23 ' A' 1087 ' ' THR . 36.7 mt-30 -93.64 101.49 13.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.861 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -46.59 126.58 8.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.163 -177.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.69 -37.72 19.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.41 173.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.453 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 31.9 m-80 -94.11 159.06 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.796 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.33 -20.99 56.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.441 -175.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -88.56 -12.4 42.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.949 0.404 . . . . 0.0 110.625 -178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.4 mt-10 -86.03 157.6 20.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.417 HD21 HG12 ' A' 1109 ' ' ILE . 62.0 tp -96.62 143.74 27.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.134 0.493 . . . . 0.0 111.137 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.589 HG23 ' HA ' ' A' 1079 ' ' GLN . 34.8 m -103.9 124.6 49.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.809 176.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.699 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 21.1 p90 -157.45 164.07 37.84 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.119 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.48 173.18 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 174.634 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.51 117.92 5.44 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.846 0.355 . . . . 0.0 110.907 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.78 -5.01 12.85 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.613 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -78.41 127.24 31.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.979 0.418 . . . . 0.0 110.676 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 61.6 t -88.64 122.2 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.573 HG12 HD13 ' A' 1109 ' ' ILE . 57.9 mt -113.48 129.84 68.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.809 -179.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.623 HG12 ' HG2' ' A' 1071 ' ' ARG . 27.4 mt -91.78 117.12 34.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 174.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.497 HG11 ' HD2' ' A' 1070 ' ' ARG . 58.7 t -68.99 116.31 9.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.26 -178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.9 p -110.08 -8.37 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.087 -175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -173.45 174.33 46.03 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 121.358 -0.449 . . . . 0.0 112.098 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -133.58 137.03 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.778 0.323 . . . . 0.0 110.27 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.468 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.9 mm-40 -105.2 -43.59 4.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.097 0.475 . . . . 0.0 110.412 177.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.7 t70 -151.13 -164.5 2.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.854 -177.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.474 ' H ' ' CG ' ' A' 1101 ' ' ASP . 29.7 pt20 -77.79 -29.42 50.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.777 0.322 . . . . 0.0 110.555 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.705 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.6 pt-20 -117.3 9.39 13.4 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.828 -175.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.705 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.5 m95 -138.77 108.55 6.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.816 -176.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.464 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 48.7 m0 -113.21 165.49 12.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.068 177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.468 HG13 ' HG2' ' A' 1100 ' ' GLU . 85.4 mt -114.97 136.58 51.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.524 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -163.72 -169.74 27.65 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 120.235 -0.983 . . . . 0.0 111.765 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.445 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.0 p-80 -135.43 151.03 50.03 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.573 HD13 HG12 ' A' 1094 ' ' ILE . 24.8 mm -69.23 131.62 33.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 174.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.07 129.8 43.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.826 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.38 -39.18 2.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.605 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -121.98 90.64 48.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 122.706 -0.291 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -68.87 -1.16 7.24 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.447 2.098 . . . . 0.0 111.788 176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -75.35 -26.04 58.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.814 0.816 . . . . 0.0 108.906 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -95.7 88.55 5.02 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.607 177.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 27.3 mtmt -121.07 173.07 7.5 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.495 -0.482 . . . . 0.0 109.996 173.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.73 -169.6 30.56 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.342 173.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' 1105 ' ' TRP . 26.9 m -86.23 142.53 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.945 0.403 . . . . 0.0 110.555 177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.524 ' HE1' ' N ' ' A' 1107 ' ' GLY . 21.0 p90 -142.37 135.41 14.01 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.588 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1103 ' ' GLU . 25.2 Cg_endo -65.74 125.62 14.6 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.673 2.249 . . . . 0.0 111.905 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 9.7 t -64.04 -25.27 37.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.385 -175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 2.6 p -70.36 -16.41 62.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.613 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -95.99 -1.91 48.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.568 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.584 HG12 HG22 ' A' 1074 ' ' THR . 31.5 m -122.68 147.29 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.1 0.476 . . . . 0.0 111.784 -174.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.484 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.1 t60 -104.3 105.1 15.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 175.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.579 HG12 HG12 ' A' 1072 ' ' VAL . 20.9 mt -72.81 132.31 33.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.186 0.517 . . . . 0.0 111.419 -172.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.6 mt -86.58 -31.46 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.488 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 50.2 m 62.69 13.68 6.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.704 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.753 -179.011 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -68.47 118.81 12.0 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.25 0.548 . . . . 0.0 110.42 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.788 ' HG2' HG12 ' A' 1095 ' ' ILE . 82.0 mtm180 -127.66 170.48 12.64 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.598 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.9 m -138.8 142.54 34.13 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 120.887 0.375 . . . . 0.0 110.173 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.45 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.2 tppp? -107.45 105.46 15.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.599 HG22 HG12 ' A' 1124 ' ' VAL . 72.6 p -55.76 121.01 8.23 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -176.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' 1125 ' ' HIS . 4.7 pt -103.56 -1.94 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.568 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -139.47 145.73 39.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.84 135.12 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.357 175.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 52.1 t -129.99 106.61 8.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.405 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' 1079 ' ' GLN . 0.0 OUTLIER -88.11 97.52 11.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.837 0.827 . . . . 0.0 109.598 174.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.542 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.54 137.39 58.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.672 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -101.08 -44.13 5.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.215 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' 1084 ' ' ASP . 58.3 t30 -85.1 145.8 27.46 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.588 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.12 0.65 11.0 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.055 0.455 . . . . 0.0 111.104 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.46 ' HB3' ' ND2' ' A' 1082 ' ' ASN . 25.2 t70 -98.75 -18.87 17.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.133 175.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.542 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 49.0 mt-10 -84.17 152.17 24.43 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 175.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.582 HD21 HG12 ' A' 1109 ' ' ILE . 58.4 tp -96.07 142.33 28.4 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.803 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.6 m -101.73 122.98 44.93 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.18 -0.463 . . . . 0.0 109.948 178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.432 ' CD1' HG21 ' A' 1074 ' ' THR . 23.3 p90 -149.29 156.3 41.89 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.779 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.661 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -114.65 172.88 3.6 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 172.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.36 118.53 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.873 0.368 . . . . 0.0 110.582 -177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . 0.45 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.18 -1.1 16.83 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.67 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 33.5 mm-40 -83.55 140.35 32.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.118 0.485 . . . . 0.0 110.451 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 17.5 t -100.7 123.13 53.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.563 HG12 HD13 ' A' 1109 ' ' ILE . 53.3 mt -116.88 131.9 68.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.788 HG12 ' HG2' ' A' 1071 ' ' ARG . 16.7 mt -88.97 127.06 41.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 84.8 t -74.16 108.65 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 123.603 0.564 . . . . 0.0 110.394 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 68.1 p -108.39 -8.1 15.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.372 -174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.21 177.11 47.26 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.019 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -128.59 148.92 50.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.697 0.284 . . . . 0.0 110.576 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -121.15 -46.19 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.73 0.776 . . . . 0.0 109.772 174.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 24.5 t70 -143.04 -179.12 6.18 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.415 -1.266 . . . . 0.0 108.523 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -80.3 -15.72 56.28 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.151 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.725 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.5 pt-20 -118.18 10.48 12.93 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.982 0.42 . . . . 0.0 110.634 176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.725 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 92.9 m95 -141.3 107.56 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.904 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.447 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.9 m0 -110.41 165.88 11.43 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.203 178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 81.1 mt -112.98 131.11 65.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -159.18 -168.84 21.77 Favored Glycine 0 N--CA 1.437 -1.262 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.333 -177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.447 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.9 OUTLIER -139.5 152.46 46.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.582 HG12 HD21 ' A' 1086 ' ' LEU . 24.1 mm -70.83 128.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.705 0.288 . . . . 0.0 110.507 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.46 ' HG2' HG13 ' A' 1095 ' ' ILE . 2.5 mm-40 -61.01 121.39 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.937 174.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.11 -15.59 62.83 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.821 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.406 HE21 ' HB3' ' A' 1114 ' ' GLU . 44.9 tp60 -135.52 71.11 66.23 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.7 -9.43 22.75 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.403 . . . . 0.0 111.843 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.406 ' HB3' HE21 ' A' 1112 ' ' GLN . 40.2 tt0 -75.86 -30.05 58.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.258 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -102.63 99.81 9.83 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.43 0.633 . . . . 0.0 110.064 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.447 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 28.1 mtmt -120.15 177.95 4.81 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.534 178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 151.22 -168.56 30.82 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.219 174.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' 1105 ' ' TRP . 30.0 m -86.37 141.86 13.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.972 0.415 . . . . 0.0 110.633 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 22.2 p90 -138.51 136.73 19.25 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.471 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' 1103 ' ' GLU . 29.7 Cg_endo -66.53 123.97 11.82 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.747 2.298 . . . . 0.0 111.737 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.42 ' HA ' HG22 ' A' 1124 ' ' VAL . 10.2 t -68.17 -27.47 37.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.321 -175.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 13.1 t -76.83 -7.51 55.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.974 0.416 . . . . 0.0 110.759 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -100.73 -2.05 33.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.987 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.599 HG12 HG22 ' A' 1074 ' ' THR . 23.0 m -124.25 152.42 29.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 111.558 -174.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.486 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -109.7 101.75 10.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.238 179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 50.1 mt -63.53 142.9 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -170.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 7.4 mt -109.36 136.83 48.16 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.138 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.6 p -99.14 45.37 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.521 0.677 . . . . 0.0 110.256 175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.282 -176.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 121.251 0.548 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' 1070 ' ' ARG . 38.7 ttm180 -84.59 141.23 30.83 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.491 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.512 ' HD2' HG12 ' A' 1095 ' ' ILE . 0.1 OUTLIER -121.66 163.77 18.45 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 174.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.3 m -137.71 141.95 37.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.607 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.8 tmtt? -115.7 107.69 15.4 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.446 HG22 HG12 ' A' 1124 ' ' VAL . 61.9 p -56.19 130.55 44.76 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.203 -171.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 3.5 pt -115.22 -0.07 8.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.923 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.575 ' CD2' HG13 ' A' 1075 ' ' ILE . 97.7 m-85 -139.03 157.5 45.88 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.864 177.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -77.77 133.51 38.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.715 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.2 t -122.22 100.49 6.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.9 0.381 . . . . 0.0 110.794 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -80.72 90.94 5.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.87 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' 1087 ' ' THR . . . -71.02 106.55 3.72 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.394 176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -82.07 -27.12 33.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.573 0.701 . . . . 0.0 109.355 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 28.0 t30 -96.52 137.35 35.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.958 177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 33.0 t70 -71.73 -12.58 61.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.506 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -83.0 -16.67 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.648 0.737 . . . . 0.0 109.741 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.555 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 88.0 mt-10 -88.36 151.97 22.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.473 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 58.9 tp -93.16 140.51 29.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 0.0 111.652 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' 1080 ' ' ALA . 0.0 OUTLIER -103.54 117.83 35.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.006 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.403 ' CD1' HG21 ' A' 1074 ' ' THR . 18.9 p90 -145.69 166.38 25.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.502 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.499 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.56 165.35 21.64 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 173.19 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' A' 1090 ' ' GLU . 1.3 mp0 -50.81 116.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.711 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . 0.436 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 119.17 1.99 13.9 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.214 -0.993 . . . . 0.0 113.636 173.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -96.51 142.34 28.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.542 0.671 . . . . 0.0 110.606 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.584 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -100.18 129.59 50.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.071 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.596 HG12 HD13 ' A' 1109 ' ' ILE . 63.8 mt -117.86 136.96 53.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.512 HG12 ' HD2' ' A' 1071 ' ' ARG . 14.9 mt -91.97 121.53 42.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 172.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 93.9 t -69.59 109.14 2.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 123.534 0.521 . . . . 0.0 109.788 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 37.6 p -100.13 -23.58 14.82 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.487 -177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.83 174.23 32.39 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.995 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -141.69 119.1 11.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.15 -46.79 6.95 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' 1102 ' ' GLN . 17.1 t70 -145.26 -158.39 0.89 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.924 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.544 ' H ' ' CG ' ' A' 1101 ' ' ASP . 16.9 mt-30 -76.61 -45.52 29.82 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.381 0.61 . . . . 0.0 109.863 -176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -114.01 16.45 18.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.015 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.557 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 91.4 m95 -136.74 104.02 5.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.367 0.603 . . . . 0.0 110.433 179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.7 m0 -116.13 169.3 9.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.175 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 97.3 mt -113.87 136.75 49.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.514 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -173.61 178.6 45.45 Favored Glycine 0 N--CA 1.437 -1.241 0 C-N-CA 120.066 -1.064 . . . . 0.0 112.503 -178.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.542 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.4 p-80 -130.77 151.79 50.82 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.739 0.317 . . . . 0.0 111.12 -174.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.596 HD13 HG12 ' A' 1094 ' ' ILE . 26.5 mm -68.69 130.03 33.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.97 176.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.421 ' HA ' ' OE1' ' A' 1110 ' ' GLU . 1.7 mm-40 -61.6 118.36 6.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.038 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.22 -18.14 57.46 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.765 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 5.8 tp60 -126.4 72.43 72.62 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.49 -25.62 48.01 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.191 2.594 . . . . 0.0 113.991 -167.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 16.8 mp0 -72.75 -27.33 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -79.17 86.28 4.98 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.274 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.7 pttp -144.91 172.78 12.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.352 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 147.54 -156.07 26.79 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.0 m -87.31 139.7 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 117.237 0.519 . . . . 0.0 110.851 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' 1072 ' ' VAL . 36.7 p90 -139.38 139.82 23.87 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.36 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.517 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.8 Cg_endo -68.93 121.76 8.64 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.769 2.313 . . . . 0.0 112.133 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.564 ' HA ' HG22 ' A' 1124 ' ' VAL . 21.2 t -68.75 -21.75 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.074 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.2 p -72.61 -11.6 60.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.485 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 8.8 m-85 -103.06 -0.42 30.77 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.661 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.627 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 32.7 m -124.19 151.93 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.406 0.622 . . . . 0.0 112.195 -173.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.453 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.2 t60 -106.23 102.53 11.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.552 HG12 HG12 ' A' 1072 ' ' VAL . 58.1 mt -68.06 141.34 17.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -169.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' 1073 ' ' LYS . 10.7 mt -108.27 110.98 22.72 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.111 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.5 p -100.97 35.55 2.18 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 C--O 1.249 1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.987 -175.053 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.414 0.149 . . . . 0.0 111.347 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -169.13 136.34 1.81 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.771 0.32 . . . . 0.0 110.534 -176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.643 ' HG2' HG12 ' A' 1095 ' ' ILE . 60.0 mtm180 -124.23 168.92 12.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 176.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 30.2 m -141.07 145.34 25.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.6 ' HG2' HG22 ' A' 1093 ' ' VAL . 9.2 tmtt? -116.08 108.46 16.22 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.536 HG22 HG12 ' A' 1124 ' ' VAL . 65.3 p -57.39 132.2 52.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.136 -172.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 5.9 pt -115.11 -1.54 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.481 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -140.82 145.87 36.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.27 177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.25 133.84 48.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.352 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 38.9 t -128.83 94.18 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.027 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.93 88.64 7.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.598 0.713 . . . . 0.0 109.682 175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.46 129.05 38.58 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.715 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 15.5 t70 -90.63 -46.21 8.42 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.469 174.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -82.81 135.17 35.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.02 -22.0 59.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.816 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.0 t0 -82.44 -12.59 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.342 0.591 . . . . 0.0 110.334 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 50.7 mt-10 -88.23 147.17 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 173.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.644 HD21 HG12 ' A' 1109 ' ' ILE . 58.6 tp -89.54 138.58 31.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.37 0.605 . . . . 0.0 110.944 178.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.406 HG23 ' H ' ' A' 1080 ' ' ALA . 0.2 OUTLIER -97.78 124.17 42.03 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.484 177.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.469 ' CD1' HG21 ' A' 1074 ' ' THR . 24.7 p90 -156.01 166.09 34.51 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.599 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -124.57 169.98 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 175.296 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -56.4 116.14 2.91 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.385 0.428 . . . . 0.0 111.011 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . 0.424 ' HA2' ' NZ ' ' A' 1073 ' ' LYS . . . 118.75 -0.79 15.47 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.507 -0.854 . . . . 0.0 113.072 176.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.439 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.6 mm-40 -89.88 143.08 27.09 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.003 0.43 . . . . 0.0 110.255 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.6 HG22 ' HG2' ' A' 1073 ' ' LYS . 74.3 t -105.59 128.22 59.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.544 0.688 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.611 HG12 HD13 ' A' 1109 ' ' ILE . 58.9 mt -116.67 137.4 50.65 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 114.887 -1.052 . . . . 0.0 109.799 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.643 HG12 ' HG2' ' A' 1071 ' ' ARG . 25.3 mt -93.92 118.95 40.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 172.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 61.8 t -69.62 110.22 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.936 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.424 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 43.8 p -104.09 -15.96 15.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.535 -176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.79 175.81 39.93 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.898 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -134.75 146.22 49.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.413 ' HG2' HG13 ' A' 1106 ' ' ILE . 14.1 mm-40 -114.4 -41.11 3.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.516 0.674 . . . . 0.0 109.691 176.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 6.9 t70 -148.99 -163.84 1.88 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.312 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -81.65 -30.15 32.88 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.66 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -113.68 12.84 18.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.797 -178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.66 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.6 m95 -140.04 106.5 5.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.737 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1118 ' ' VAL . 53.7 m0 -112.64 166.63 11.16 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.413 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.8 mt -116.97 135.84 56.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -167.74 -169.93 31.88 Favored Glycine 0 N--CA 1.436 -1.328 0 C-N-CA 119.868 -1.158 . . . . 0.0 112.338 -179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.56 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.9 p-80 -134.5 149.2 50.67 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.47 -0.365 . . . . 0.0 110.282 -178.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.644 HG12 HD21 ' A' 1086 ' ' LEU . 20.9 mm -70.73 128.26 33.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.419 ' CG ' HG13 ' A' 1095 ' ' ILE . 16.4 mt-10 -65.15 134.27 53.36 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.42 -20.71 48.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.416 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -145.32 86.98 7.25 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 121.064 0.459 . . . . 0.0 109.837 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 -9.3 25.0 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 123.03 2.487 . . . . 0.0 113.508 -174.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -78.65 -23.69 45.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 110.387 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' 1086 ' ' LEU . 37.5 mtt180 -85.07 91.38 8.09 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.901 0.381 . . . . 0.0 110.214 176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.56 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 26.9 mtmm -128.98 170.13 13.83 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.169 177.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.37 -167.57 29.65 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.967 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1105 ' ' TRP . 20.2 m -84.36 142.89 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.932 0.396 . . . . 0.0 110.636 177.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.479 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.1 p90 -141.06 133.12 13.97 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.771 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.74 124.0 12.14 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.875 2.383 . . . . 0.0 111.973 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' 1124 ' ' VAL . 24.4 t -65.59 -25.02 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.116 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 40.4 t -72.28 -9.31 58.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.783 0.325 . . . . 0.0 110.753 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.67 -3.35 28.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.189 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 24.8 m -124.63 162.96 25.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.999 0.428 . . . . 0.0 111.303 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.68 107.56 12.51 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.545 HG13 HG12 ' A' 1072 ' ' VAL . 3.7 mp -65.45 139.14 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 112.085 -171.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' 1073 ' ' LYS . 12.4 mt -108.95 125.0 51.57 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.862 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.8 t -87.66 15.85 6.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.412 0.625 . . . . 0.0 109.886 175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.851 -179.528 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' A' 1129 ' ' ASP . 19.3 m . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.617 HH11 HG11 ' A' 1096 ' ' VAL . 33.4 ttm180 -169.41 111.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.204 0.526 . . . . 0.0 110.98 174.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.41 ' CB ' HD12 ' A' 1127 ' ' LEU . 0.0 OUTLIER -113.72 155.87 24.81 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.108 173.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.8 m -132.04 137.92 53.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.355 173.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.537 ' HD2' ' HA2' ' A' 1091 ' ' GLY . 3.3 tppp? -103.61 105.98 16.36 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.576 HG22 HG12 ' A' 1124 ' ' VAL . 71.4 p -55.1 128.9 35.92 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.537 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' 1076 ' ' TYR . 12.8 pt -112.68 0.99 8.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.093 0.473 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.529 ' CD2' HG13 ' A' 1075 ' ' ILE . 87.9 m-85 -137.01 146.84 45.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.096 177.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' ' OE1' ' A' 1090 ' ' GLU . 16.4 t70 -76.85 129.63 36.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.719 173.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 29.2 t -126.09 105.81 9.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.8 0.333 . . . . 0.0 110.423 -178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -89.41 88.59 7.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.888 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.567 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.72 146.59 45.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.639 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -115.51 -35.27 4.63 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.401 -177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.403 ' HB3' ' HG3' ' A' 1085 ' ' GLU . 43.6 t30 -92.11 141.77 28.24 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -61.59 -21.58 64.46 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.595 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -75.23 -26.7 59.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.969 0.414 . . . . 0.0 110.667 177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.567 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 51.3 mt-10 -79.34 143.91 34.7 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.936 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' 1115 ' ' ARG . 57.4 tp -91.71 141.47 28.65 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' 1080 ' ' ALA . 39.1 m -104.4 128.28 52.23 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.425 ' HB3' HD11 ' A' 1109 ' ' ILE . 19.8 p90 -150.85 163.26 39.08 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.402 -178.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.823 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.38 163.13 18.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.301 179.261 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.495 ' OE1' ' HB2' ' A' 1077 ' ' ASP . 1.0 OUTLIER -63.79 108.68 1.51 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 -177.576 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . 0.537 ' HA2' ' HD2' ' A' 1073 ' ' LYS . . . 118.54 8.86 9.72 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.743 178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.504 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.5 tp10 -98.39 134.63 41.11 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.434 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 34.2 t -89.39 128.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-O 120.97 0.415 . . . . 0.0 110.553 -176.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.645 HG12 HD13 ' A' 1109 ' ' ILE . 60.4 mt -110.75 130.88 63.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.415 HD11 ' OE2' ' A' 1110 ' ' GLU . 12.6 mt -94.79 116.75 36.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.617 HG11 HH11 ' A' 1070 ' ' ARG . 47.2 t -73.62 116.59 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 -176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.454 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.4 p -110.98 -6.09 14.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.407 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -177.92 178.17 48.44 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.45 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -120.95 157.89 28.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 0.0 110.267 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.587 ' HG2' HG13 ' A' 1106 ' ' ILE . 5.9 mm-40 -121.86 -55.57 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.582 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 4.8 t70 -142.45 -161.34 1.22 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.369 -176.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -77.7 -27.96 50.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.049 0.452 . . . . 0.0 110.35 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.684 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.3 pt-20 -121.52 10.61 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.047 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.684 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.3 m95 -137.09 115.26 11.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.48 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.528 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 47.3 m0 -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.075 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.587 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.5 mt -114.57 140.39 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.454 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -173.82 -154.62 10.88 Favored Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.896 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.411 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.5 p-80 -148.7 154.31 39.45 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.645 HD13 HG12 ' A' 1094 ' ' ILE . 21.5 mm -72.91 129.73 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 174.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.434 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 7.3 tp10 -75.28 140.42 43.14 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 176.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.85 -38.93 2.99 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.475 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.415 HE21 ' HG3' ' A' 1115 ' ' ARG . 19.5 tt0 -138.73 79.09 29.39 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 176.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.67 14.04 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.235 2.623 . . . . 0.0 113.432 -172.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -86.73 -19.69 28.77 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.397 0.618 . . . . 0.0 109.471 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 63.8 mtt-85 -85.98 92.46 8.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.377 173.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.411 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.6 mtmm -125.88 170.25 11.84 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.444 -0.503 . . . . 0.0 110.905 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 140.57 -153.67 23.74 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.6 -0.81 . . . . 0.0 111.648 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.47 HG12 ' HG3' ' A' 1100 ' ' GLU . 28.1 m -93.74 141.9 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.954 0.407 . . . . 0.0 110.73 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.434 ' HE1' ' N ' ' A' 1107 ' ' GLY . 23.9 p90 -136.9 136.84 21.81 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.457 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.6 Cg_endo -68.05 122.3 9.38 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.969 2.446 . . . . 0.0 112.12 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.9 t -62.59 -28.13 44.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.638 -176.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.2 m -70.47 -13.01 61.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.736 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -100.42 0.58 40.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.735 0.303 . . . . 0.0 111.401 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.588 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 25.2 m -124.93 154.33 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.204 0.526 . . . . 0.0 111.825 -174.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.492 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -111.7 104.09 12.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.097 178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.578 HG12 HG12 ' A' 1072 ' ' VAL . 21.7 mt -73.1 138.7 20.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.04 0.447 . . . . 0.0 111.568 -170.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' 1071 ' ' ARG . 11.9 mt -95.02 -25.31 16.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.01 -177.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . 0.402 ' H ' HG22 ' A' 1126 ' ' ILE . 49.1 m 61.08 21.34 11.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.099 -171.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . 0.532 ' O ' ' HB ' ' A' 1069 ' ' VAL . 25.1 t70 . . . . . 0 C--O 1.245 0.843 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.448 -175.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -71.37 141.56 50.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.362 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.414 ' HG2' HG12 ' A' 1095 ' ' ILE . 85.8 mtm180 -124.99 160.04 29.89 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 33.3 m -137.67 150.39 25.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.573 ' HB2' HD21 ' A' 1127 ' ' LEU . 7.9 tmtt? -125.48 108.07 11.27 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.547 HG22 HG12 ' A' 1124 ' ' VAL . 64.4 p -57.12 134.39 55.82 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.672 -170.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.47 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.1 pt -115.62 0.64 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.346 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.447 ' CD2' HG13 ' A' 1075 ' ' ILE . 75.8 m-85 -140.65 151.27 44.46 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.291 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.448 ' OD1' HG22 ' A' 1089 ' ' ILE . 20.4 t70 -77.7 133.67 38.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.69 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 40.6 t -124.28 120.32 31.87 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.264 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -107.93 98.61 8.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.685 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.42 136.96 57.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.156 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -107.31 -25.38 11.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.505 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 27.1 m-80 -105.97 146.92 29.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.426 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.36 -13.48 62.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.542 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.442 ' O ' HG22 ' A' 1118 ' ' VAL . 34.0 m-20 -89.51 -7.21 55.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.937 0.399 . . . . 0.0 110.549 178.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.534 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 46.5 mt-10 -95.4 162.31 13.71 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 65.7 tp -107.89 144.8 34.63 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 45.5 m -106.76 128.1 53.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.788 176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.516 ' CD1' HG21 ' A' 1074 ' ' THR . 24.1 p90 -158.69 158.89 34.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.672 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.05 171.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -55.57 114.46 1.86 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.242 0.339 . . . . 0.0 110.2 177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.82 4.73 12.63 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.128 -1.034 . . . . 0.0 113.0 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.452 ' HG2' HD13 ' A' 1089 ' ' ILE . 6.4 mm-40 -89.18 127.08 35.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 175.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.414 HG22 ' HG2' ' A' 1073 ' ' LYS . 48.9 t -87.49 124.72 41.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.543 HG12 HD13 ' A' 1109 ' ' ILE . 54.3 mt -117.28 131.37 70.2 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.811 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.414 HG12 ' HG2' ' A' 1071 ' ' ARG . 39.7 mt -95.8 118.6 42.41 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 175.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 42.4 t -69.6 106.59 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 123.943 0.777 . . . . 0.0 110.282 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 44.1 p -97.61 -17.52 19.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.64 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.63 171.58 35.38 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.019 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -137.3 125.17 22.61 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.401 ' HG2' HG13 ' A' 1106 ' ' ILE . 36.5 mm-40 -98.32 -52.93 3.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.361 0.6 . . . . 0.0 110.839 -177.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -141.72 -166.24 2.17 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.08 -172.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.73 -33.48 66.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.602 0.715 . . . . 0.0 109.966 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.721 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.8 pt-20 -120.34 9.94 11.13 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.999 -172.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.721 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 95.9 m95 -137.38 107.3 6.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.771 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.452 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.1 m0 -110.69 163.99 13.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.859 177.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' 1100 ' ' GLU . 82.2 mt -113.83 134.42 56.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.503 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -160.96 -171.0 26.34 Favored Glycine 0 N--CA 1.434 -1.439 0 C-N-CA 119.834 -1.174 . . . . 0.0 112.232 -179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.51 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.4 p-80 -136.41 152.11 50.25 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.543 HD13 HG12 ' A' 1094 ' ' ILE . 29.7 mm -71.27 131.47 34.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 175.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' 1093 ' ' VAL . 0.4 OUTLIER -62.69 131.41 48.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.728 178.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.22 -39.6 2.83 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.155 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.1 tp60 -127.64 92.03 43.95 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.25 0.548 . . . . 0.0 110.708 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.15 4.13 6.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 123.214 2.609 . . . . 0.0 112.27 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -87.55 -16.5 34.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.925 0.393 . . . . 0.0 110.207 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.417 ' NH1' HG13 ' A' 1109 ' ' ILE . 10.2 ttm180 -99.19 92.46 5.46 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.51 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 30.8 mtmm -126.85 176.43 7.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.358 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.83 -166.21 29.28 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.994 173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.1 m -88.1 143.33 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.47 . . . . 0.0 110.431 177.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.503 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.3 p90 -140.85 134.82 15.06 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.527 178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.597 ' HA ' ' O ' ' A' 1103 ' ' GLU . 19.8 Cg_endo -64.37 124.82 13.94 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.64 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 16.2 t -61.58 -28.74 44.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.806 -174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 m -75.75 7.86 3.49 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -112.95 -2.2 14.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.614 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.2 m -124.69 151.68 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.252 0.548 . . . . 0.0 112.111 -172.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.47 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.88 101.4 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.824 175.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.582 HG12 HG12 ' A' 1072 ' ' VAL . 65.6 mt -66.76 139.22 21.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -170.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.573 HD21 ' HB2' ' A' 1073 ' ' LYS . 1.0 OUTLIER -106.65 112.36 25.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.831 -1.077 . . . . 0.0 108.348 172.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 66.1 m -84.79 22.64 1.31 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.493 0.663 . . . . 0.0 110.796 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 C--O 1.245 0.853 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.821 174.312 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.481 1.081 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.487 ' HD2' HG21 ' A' 1096 ' ' VAL . 4.3 ttm180 -132.77 124.64 28.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.899 0.381 . . . . 0.0 110.382 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 57.9 mtm-85 -126.94 158.05 37.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.598 HG12 HG12 ' A' 1126 ' ' ILE . 33.8 m -133.17 146.15 32.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.812 0.339 . . . . 0.0 110.389 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD21 ' A' 1127 ' ' LEU . 17.1 tptp -110.58 100.8 9.53 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.598 HG22 HG12 ' A' 1124 ' ' VAL . 74.5 p -53.87 124.85 16.55 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.374 0.607 . . . . 0.0 111.8 -174.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.445 HG13 ' CD1' ' A' 1076 ' ' TYR . 2.1 pt -108.09 1.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.134 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' 1123 ' ' PHE . 74.8 m-85 -133.97 152.93 52.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.079 177.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.44 130.37 35.02 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.253 171.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 42.9 t -131.08 117.51 19.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.789 0.328 . . . . 0.0 110.387 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.554 ' HA ' HG23 ' A' 1087 ' ' THR . 11.2 pt20 -109.84 99.11 8.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.441 0.638 . . . . 0.0 110.15 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -63.45 141.8 58.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.996 -175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.12 -33.99 12.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.423 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -108.49 150.24 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.385 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -75.44 -8.26 56.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.091 0.472 . . . . 0.0 110.848 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.409 ' O ' HG22 ' A' 1118 ' ' VAL . 19.5 m-20 -71.47 -21.34 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.558 0.694 . . . . 0.0 109.15 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 28.7 mt-10 -102.94 163.17 12.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.933 -1.031 . . . . 0.0 109.298 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.45 HD23 HD13 ' A' 1094 ' ' ILE . 63.0 tp -109.73 143.96 38.79 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.367 0.604 . . . . 0.0 111.952 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.554 HG23 ' HA ' ' A' 1079 ' ' GLN . 90.9 m -106.34 131.43 53.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.906 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.4 p90 -161.5 162.4 30.36 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.895 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.644 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.49 167.64 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 173.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -55.85 118.32 4.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.756 0.312 . . . . 0.0 110.425 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.61 -4.43 13.23 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.536 -0.84 . . . . 0.0 113.024 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.486 ' HG2' HD13 ' A' 1089 ' ' ILE . 8.7 mm-40 -78.82 138.33 38.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.856 0.36 . . . . 0.0 110.625 178.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' 1110 ' ' GLU . 39.2 t -91.79 126.89 44.35 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 173.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.65 HG12 HD13 ' A' 1109 ' ' ILE . 48.2 mt -119.79 129.08 75.83 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 26.5 mt -93.12 120.5 42.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.069 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.487 HG21 ' HD2' ' A' 1070 ' ' ARG . 93.7 t -69.28 111.9 3.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.424 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 74.9 p -108.51 -17.54 13.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.575 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.03 176.82 37.59 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.836 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -146.38 131.74 18.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -106.18 -48.37 3.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.131 0.491 . . . . 0.0 110.649 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 22.1 t70 -136.49 -173.53 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.291 -172.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.54 ' HG3' ' HG2' ' A' 1103 ' ' GLU . 17.7 pt20 -70.65 -33.14 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.993 0.425 . . . . 0.0 110.246 -177.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.54 ' HG2' ' HG3' ' A' 1102 ' ' GLN . 3.3 pt-20 -124.54 20.45 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.526 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.512 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 91.2 m95 -137.73 104.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.132 0.492 . . . . 0.0 110.389 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.502 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.5 m0 -113.21 167.28 10.68 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.242 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.44 136.89 49.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.464 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -164.89 -166.73 24.33 Favored Glycine 0 N--CA 1.434 -1.455 0 C-N-CA 119.705 -1.236 . . . . 0.0 112.439 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.454 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.8 p-80 -140.03 150.4 44.35 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.65 HD13 HG12 ' A' 1094 ' ' ILE . 28.0 mm -69.8 126.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.089 0.471 . . . . 0.0 110.216 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.543 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 14.9 tt0 -72.86 123.34 23.2 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.27 -11.49 68.96 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.665 -173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -150.97 72.5 8.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.84 -13.47 40.06 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.236 2.624 . . . . 0.0 113.216 -172.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.27 -6.18 58.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.978 0.418 . . . . 0.0 110.692 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.461 ' NH1' HG13 ' A' 1109 ' ' ILE . 13.1 ttm180 -106.41 95.37 5.71 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 7.5 mtmp? -121.66 177.19 5.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.797 0.332 . . . . 0.0 110.771 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.59 -169.37 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.078 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' 1105 ' ' TRP . 34.8 m -85.14 142.1 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.227 0.537 . . . . 0.0 110.784 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.464 ' HE1' ' N ' ' A' 1107 ' ' GLY . 19.7 p90 -137.53 134.78 18.63 Favored Pre-proline 0 C--N 1.316 -0.859 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.07 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' 1103 ' ' GLU . 28.6 Cg_endo -65.25 124.23 12.65 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.57 2.18 . . . . 0.0 111.387 177.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.469 HG23 ' C ' ' A' 1103 ' ' GLU . 12.3 t -67.42 -25.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.331 -174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 11.7 p -74.43 -7.93 54.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.085 0.469 . . . . 0.0 110.777 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.597 ' HA ' ' CD1' ' A' 1076 ' ' TYR . 4.9 m-85 -103.7 1.27 31.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.021 -179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.598 HG12 HG22 ' A' 1074 ' ' THR . 24.5 m -128.33 158.27 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.688 0.28 . . . . 0.0 111.266 -176.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.411 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.9 t60 -118.34 102.61 9.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.598 HG12 HG12 ' A' 1072 ' ' VAL . 33.2 mt -66.97 143.39 15.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -169.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' 1073 ' ' LYS . 4.2 mt -109.5 120.22 41.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.051 176.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 9.5 p -90.2 12.85 16.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.462 0.649 . . . . 0.0 110.614 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.652 -179.153 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.586 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 ptp180 -64.22 141.88 58.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.196 0.522 . . . . 0.0 110.732 -176.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -124.61 173.59 8.4 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 27.9 m -140.78 153.91 21.31 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-O 120.952 0.406 . . . . 0.0 110.092 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.409 ' HE2' HG22 ' A' 1093 ' ' VAL . 12.0 tppt? -113.61 113.87 25.66 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.497 HG22 HG12 ' A' 1124 ' ' VAL . 81.0 p -62.57 114.23 3.44 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.999 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 26.4 pt -95.99 -12.27 8.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.352 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' 1123 ' ' PHE . 42.0 m-85 -130.88 158.54 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 175.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.435 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 6.4 p-10 -91.99 134.29 34.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 0.0 110.094 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.414 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 42.7 t -121.91 112.72 18.65 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.886 -178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -91.79 97.18 10.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.443 174.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -52.83 129.98 31.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.228 -178.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -95.95 -34.35 11.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.54 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.674 ' HB3' ' HB2' ' A' 1085 ' ' GLU . 48.3 t-20 -92.94 147.25 22.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.818 -1.083 . . . . 0.0 108.89 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.63 -21.68 61.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.209 0.528 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.3 t0 -91.28 3.42 54.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.852 0.834 . . . . 0.0 109.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' A' 1082 ' ' ASN . 20.0 tt0 -101.28 167.62 10.07 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.599 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.624 HD11 ' HB3' ' A' 1115 ' ' ARG . 50.4 tp -112.38 140.62 46.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.356 0.598 . . . . 0.0 112.269 -176.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.7 m -103.2 126.05 50.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.58 175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 25.6 p90 -157.84 166.12 33.51 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.035 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.643 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.65 168.23 18.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 175.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 2.9 mp0 -56.6 119.33 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.76 -177.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.38 -2.92 13.99 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.821 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.45 142.84 28.1 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.994 0.425 . . . . 0.0 110.684 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.409 HG22 ' HE2' ' A' 1073 ' ' LYS . 47.3 t -99.2 125.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.552 HG12 HD13 ' A' 1109 ' ' ILE . 64.0 mt -113.11 133.27 59.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.486 HD11 ' OE2' ' A' 1110 ' ' GLU . 8.4 mt -93.18 117.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.586 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 60.5 t -70.28 110.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.571 -177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 45.0 p -111.05 -1.25 16.35 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.916 -175.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.65 165.6 38.97 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.579 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -136.13 120.67 18.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.933 0.397 . . . . 0.0 110.272 178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.43 ' HG2' HG13 ' A' 1106 ' ' ILE . 17.7 mm-40 -95.03 -48.03 6.14 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 121.387 0.613 . . . . 0.0 110.421 -176.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' 1102 ' ' GLN . 14.3 t70 -138.58 -165.04 1.75 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.236 -175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.439 ' H ' ' CG ' ' A' 1101 ' ' ASP . 37.0 mt-30 -80.67 -33.35 35.62 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.343 0.592 . . . . 0.0 109.547 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 4.8 pt-20 -115.98 11.52 15.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.803 -177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.576 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.8 m95 -135.35 110.76 9.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.715 -178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.4 m0 -116.48 167.21 11.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.333 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.43 HG13 ' HG2' ' A' 1100 ' ' GLU . 88.1 mt -114.1 135.06 55.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 176.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.8 -178.01 41.14 Favored Glycine 0 N--CA 1.437 -1.272 0 C-N-CA 119.826 -1.178 . . . . 0.0 112.402 -178.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 2.3 p-80 -133.39 148.71 51.83 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.483 -0.359 . . . . 0.0 110.548 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.552 HD13 HG12 ' A' 1094 ' ' ILE . 25.6 mm -62.07 124.01 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 174.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.486 ' OE2' HD11 ' A' 1095 ' ' ILE . 4.6 tp10 -61.51 127.42 31.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.279 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.37 -21.28 45.19 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.683 -176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 1112 ' ' GLN . 6.7 tp60 -141.75 88.08 9.74 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.541 -178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.19 -4.94 14.66 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.956 2.438 . . . . 0.0 112.565 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -67.14 -31.21 71.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.535 0.683 . . . . 0.0 109.332 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.624 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.6 mtt180 -98.74 97.2 8.47 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.591 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 48.5 pttt -148.27 162.37 39.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.099 0.476 . . . . 0.0 112.237 176.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.38 -154.06 25.24 Favored Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.809 -176.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.6 m -88.48 142.4 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 117.218 0.509 . . . . 0.0 111.209 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.477 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.2 p90 -142.14 135.89 14.57 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.2 Cg_endo -67.82 123.25 10.48 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.79 2.326 . . . . 0.0 111.984 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' 1124 ' ' VAL . 19.6 t -65.27 -21.62 29.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.916 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 21.9 t -68.98 -10.57 58.15 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.691 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.443 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.4 m-85 -106.56 0.43 24.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.661 -178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.619 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.7 m -136.01 152.1 30.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.998 0.427 . . . . 0.0 112.012 -173.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.58 119.78 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.589 HG13 HG12 ' A' 1072 ' ' VAL . 5.2 mp -72.93 132.51 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.349 0.595 . . . . 0.0 111.861 -172.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 3.4 mt -104.03 141.24 36.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.102 -0.953 . . . . 0.0 108.632 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 50.7 p -95.62 16.91 15.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.251 0.548 . . . . 0.0 110.758 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.469 178.444 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 26.6 m . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 121.605 0.716 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.516 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 9.7 tpt180 -77.5 98.13 5.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.574 -177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' 1071 ' ' ARG . 44.0 mtt85 -120.07 154.51 34.54 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 36.0 m -137.21 162.83 33.08 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' 1093 ' ' VAL . 74.0 tttt -138.47 118.35 13.28 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.464 HG21 ' CG ' ' A' 1088 ' ' PHE . 60.0 p -57.74 119.39 6.56 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.956 -173.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' 1125 ' ' HIS . 3.5 pt -104.94 -3.64 9.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.244 178.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -138.57 151.25 47.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.052 175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.33 129.99 36.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.765 176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 46.7 t -126.47 123.69 38.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.126 0.488 . . . . 0.0 110.061 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -105.57 99.36 8.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.062 -177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -62.68 112.62 2.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.458 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -76.62 -34.35 58.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.382 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' 1084 ' ' ASP . 33.0 t30 -107.18 145.86 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.539 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.28 -12.37 60.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 111.424 -173.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.404 ' HB2' ' ND2' ' A' 1082 ' ' ASN . 8.1 m-20 -75.28 -21.74 58.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.395 0.617 . . . . 0.0 109.47 173.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 65.8 mt-10 -87.1 155.13 20.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.423 178.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' 1115 ' ' ARG . 59.0 tp -95.01 142.61 27.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.093 0.473 . . . . 0.0 110.81 178.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.4 m -107.23 123.87 48.92 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.486 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.464 ' CG ' HG21 ' A' 1074 ' ' THR . 12.5 p90 -150.15 158.37 44.09 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -177.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.623 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.01 165.92 12.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.85 115.04 1.96 Allowed 'General case' 0 C--O 1.237 0.42 0 O-C-N 123.238 0.336 . . . . 0.0 110.921 -176.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.14 6.04 11.19 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.372 174.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.409 ' HB3' HD12 ' A' 1109 ' ' ILE . 41.5 mt-10 -95.51 130.83 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.231 0.515 . . . . 0.0 109.63 173.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' 1073 ' ' LYS . 99.2 t -89.92 132.98 33.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.689 HG12 HD13 ' A' 1109 ' ' ILE . 51.7 mt -117.79 132.33 67.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.727 -178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.424 HG13 ' HG2' ' A' 1110 ' ' GLU . 25.6 mt -93.34 118.15 38.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 171.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.516 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 42.7 t -70.91 109.4 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.089 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 66.9 p -97.07 -5.57 37.19 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.108 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -174.24 167.63 40.1 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.894 176.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.453 ' HG2' ' CG ' ' A' 1105 ' ' TRP . 42.4 mt-10 -137.08 117.62 13.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.184 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.39 -54.43 3.92 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.446 0.641 . . . . 0.0 110.242 -176.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 7.2 t70 -129.35 -166.15 1.61 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.441 -173.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -78.44 -36.53 45.39 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 121.274 0.559 . . . . 0.0 109.795 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.585 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.0 pt-20 -115.46 13.57 16.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.848 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.585 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 96.6 m95 -138.03 104.49 5.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.43 0.633 . . . . 0.0 111.052 -176.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.524 ' O ' ' HA ' ' A' 1118 ' ' VAL . 48.1 m0 -113.42 168.43 9.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.416 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.3 mt -118.97 137.16 53.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.478 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.31 -168.37 33.64 Favored Glycine 0 N--CA 1.437 -1.285 0 C-N-CA 119.817 -1.183 . . . . 0.0 112.419 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.405 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -135.68 152.66 51.4 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 124.027 0.486 . . . . 0.0 109.965 -178.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.689 HD13 HG12 ' A' 1094 ' ' ILE . 24.5 mm -74.52 133.83 30.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 174.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.424 ' HG2' HG13 ' A' 1095 ' ' ILE . 7.7 mm-40 -68.97 135.3 50.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.582 175.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 81.17 -17.65 12.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.631 -176.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.468 HE21 ' HD2' ' A' 1115 ' ' ARG . 12.0 mt-30 -136.0 67.67 63.21 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -68.35 -5.79 15.88 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.968 2.445 . . . . 0.0 112.308 -175.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -81.84 -10.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.27 0.557 . . . . 0.0 109.992 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.581 ' HB3' HD11 ' A' 1086 ' ' LEU . 85.9 mtt180 -99.98 96.39 7.51 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.861 174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.405 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 27.9 mtmt -128.28 177.23 7.09 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.551 175.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 139.97 -165.3 25.97 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.649 -0.786 . . . . 0.0 111.906 173.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' 1105 ' ' TRP . 29.8 m -88.56 136.88 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 0.0 110.33 176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.478 ' HE1' ' N ' ' A' 1107 ' ' GLY . 26.4 p90 -134.66 139.52 32.72 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.476 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.571 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.3 Cg_endo -69.64 122.81 9.52 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.586 2.19 . . . . 0.0 111.993 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.466 ' HA ' HG22 ' A' 1124 ' ' VAL . 38.3 t -64.34 -24.2 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.485 -175.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 3.7 m -70.05 -5.7 28.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.603 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -111.9 2.78 17.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.395 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.591 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.7 m -125.75 150.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.485 0.66 . . . . 0.0 112.292 -173.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' 1075 ' ' ILE . 4.6 t60 -108.0 111.55 23.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.236 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.525 HG12 HG12 ' A' 1072 ' ' VAL . 45.7 mt -70.75 144.4 13.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.72 89.24 3.09 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.69 42.0 1.05 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.467 0.651 . . . . 0.0 110.105 174.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 37.4 t70 . . . . . 0 C--O 1.251 1.164 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.777 -178.282 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.595 0.712 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -86.71 149.48 24.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.553 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.588 ' HG3' HG12 ' A' 1095 ' ' ILE . 5.9 mpt_? -119.83 154.62 34.02 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.073 0.464 . . . . 0.0 109.948 177.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -133.36 138.34 51.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 173.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 5.6 tmtt? -111.08 106.21 15.19 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 -177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.532 HG21 ' CD1' ' A' 1088 ' ' PHE . 69.6 p -56.69 126.25 25.95 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.147 -0.933 . . . . 0.0 112.908 -171.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.543 HG23 ' HB2' ' A' 1125 ' ' HIS . 8.7 pt -111.87 1.09 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.227 178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -137.77 140.12 40.45 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.833 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.23 134.35 37.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.188 0.518 . . . . 0.0 109.894 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 35.7 t -120.02 94.13 4.29 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.763 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -84.55 88.34 7.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.333 -0.849 . . . . 0.0 108.94 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.78 129.63 40.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.187 -174.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.42 -28.79 20.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.481 175.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -103.76 142.63 34.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.531 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.06 -17.75 63.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.184 0.516 . . . . 0.0 110.85 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.89 -29.36 62.03 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.026 177.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.566 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 48.0 mt-10 -79.05 147.59 32.77 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.703 177.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.8 142.79 31.29 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.013 0.435 . . . . 0.0 110.577 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 10.5 m -106.99 124.18 49.25 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.57 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.532 ' CD1' HG21 ' A' 1074 ' ' THR . 25.6 p90 -155.09 161.83 41.18 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 -178.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.67 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.03 171.91 8.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 174.604 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -57.09 118.98 5.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.002 0.429 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.91 -4.26 14.3 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.253 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.74 129.55 34.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.902 0.382 . . . . 0.0 110.27 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.418 HG22 ' HG2' ' A' 1073 ' ' LYS . 98.6 t -92.66 118.28 37.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 174.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.574 HG12 HD13 ' A' 1109 ' ' ILE . 42.3 mt -108.54 132.28 56.85 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.653 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.588 HG12 ' HG3' ' A' 1071 ' ' ARG . 19.8 mt -95.02 120.44 44.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.828 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 80.6 t -69.34 110.0 2.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.574 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 80.1 p -106.6 -15.76 14.69 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.365 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -155.92 174.12 33.88 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.709 178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -142.99 133.16 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.839 0.319 . . . . 0.0 110.637 -177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -107.45 -45.24 4.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.267 0.556 . . . . 0.0 109.948 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.86 -171.11 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -80.9 -18.26 47.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 118.502 0.592 . . . . 0.0 110.008 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.672 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 7.9 pt-20 -116.51 9.78 14.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.044 0.45 . . . . 0.0 110.328 -179.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.672 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 93.7 m95 -141.04 104.56 4.68 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.31 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 51.5 m0 -112.51 164.35 13.4 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.814 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.14 136.67 51.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.457 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -166.79 -165.3 23.95 Favored Glycine 0 N--CA 1.437 -1.254 0 C-N-CA 119.443 -1.361 . . . . 0.0 112.413 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.433 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 1.3 p-80 -138.78 151.96 47.51 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 -177.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.574 HD13 HG12 ' A' 1094 ' ' ILE . 36.3 mm -75.38 127.6 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 175.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.12 128.87 38.16 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.575 176.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.5 -22.14 40.57 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.206 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -141.56 75.31 22.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.3 11.72 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.079 2.519 . . . . 0.0 113.218 -173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -92.27 -26.8 17.97 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -84.77 87.93 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.433 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 31.3 mtmt -122.44 177.53 5.36 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.212 -178.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 145.51 -161.52 28.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.029 -1.081 . . . . 0.0 112.292 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 16.3 m -90.16 138.93 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 110.352 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.457 ' HE1' ' N ' ' A' 1107 ' ' GLY . 32.4 p90 -138.8 134.77 17.27 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.563 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' 1103 ' ' GLU . 22.0 Cg_endo -65.95 122.13 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.508 2.139 . . . . 0.0 111.965 178.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.67 -21.67 27.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.968 -175.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.6 m -72.56 -2.6 20.45 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.42 -0.35 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.754 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.629 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 33.1 m -122.72 147.61 26.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.413 0.625 . . . . 0.0 112.085 -172.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' 1075 ' ' ILE . 2.8 t60 -98.21 100.75 12.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 176.027 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.493 HG12 HG12 ' A' 1072 ' ' VAL . 52.6 mt -72.88 144.12 13.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.109 0.481 . . . . 0.0 112.042 -169.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' 1071 ' ' ARG . 3.2 mt -105.85 122.59 46.43 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 176.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 11.3 p -86.4 14.55 6.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.708 0.766 . . . . 0.0 109.949 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.193 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 98.0 t . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.7 0.286 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.534 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 40.0 ttm180 -123.66 113.48 18.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.308 0.575 . . . . 0.0 111.47 -176.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -120.06 168.14 11.48 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 174.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.9 m -139.08 162.41 27.92 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.161 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.529 ' HB2' HD21 ' A' 1127 ' ' LEU . 76.1 tttt -138.64 115.43 10.73 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.541 HG21 ' CD1' ' A' 1088 ' ' PHE . 70.1 p -59.42 124.75 21.05 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.088 -171.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' 1125 ' ' HIS . 15.8 pt -105.2 -1.15 9.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.282 0.563 . . . . 0.0 110.106 177.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.443 ' CD2' HG13 ' A' 1075 ' ' ILE . 86.8 m-85 -139.79 158.73 43.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 176.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.413 ' HB3' ' OE1' ' A' 1090 ' ' GLU . 5.9 p-10 -90.39 140.25 29.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.302 0.573 . . . . 0.0 110.343 178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 31.2 t -125.08 116.9 22.82 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.581 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.504 ' HA ' HG23 ' A' 1087 ' ' THR . 97.3 mt-30 -100.2 94.06 6.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.89 179.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -64.56 116.85 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.488 -178.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -94.76 1.46 55.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.569 0.699 . . . . 0.0 109.664 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.659 ' HB3' ' HG2' ' A' 1085 ' ' GLU . 18.7 t30 -130.17 134.41 47.28 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 174.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.86 -13.52 62.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.886 0.374 . . . . 0.0 111.644 -171.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -81.52 -17.61 47.94 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.659 ' HG2' ' HB3' ' A' 1082 ' ' ASN . 6.6 mm-40 -81.43 -169.66 2.4 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 174.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' 1115 ' ' ARG . 58.5 tp -130.75 141.07 50.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.99 0.424 . . . . 0.0 111.254 174.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.504 HG23 ' HA ' ' A' 1079 ' ' GLN . 5.5 m -103.48 123.43 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.811 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.541 ' CD1' HG21 ' A' 1074 ' ' THR . 15.2 p90 -153.61 165.55 35.55 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.26 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -123.0 167.78 16.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' A' 1077 ' ' ASP . 1.5 mp0 -54.75 117.91 3.79 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.252 0.345 . . . . 0.0 110.82 -178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 119.8 -2.28 13.47 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.091 175.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -84.12 131.18 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.941 0.371 . . . . 0.0 110.455 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 94.3 t -87.55 135.47 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.549 HG12 HD13 ' A' 1109 ' ' ILE . 66.6 mt -129.5 138.82 53.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 21.5 mt -99.56 122.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 88.1 t -71.59 112.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.072 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 62.4 p -105.88 -17.6 14.31 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.986 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.88 178.01 38.75 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.209 -0.52 . . . . 0.0 112.18 178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -137.58 134.02 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.674 0.274 . . . . 0.0 110.929 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -107.71 -50.7 3.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.26 0.552 . . . . 0.0 110.307 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 12.4 t70 -139.07 -179.83 6.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.904 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -77.19 -15.99 59.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.98 0.419 . . . . 0.0 110.339 -175.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.643 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 8.0 pt-20 -122.46 9.5 9.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.119 0.485 . . . . 0.0 110.753 178.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.643 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 90.3 m95 -139.93 108.32 5.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.757 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.534 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 49.4 m0 -110.79 168.34 9.55 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.134 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' 1117 ' ' GLY . 81.9 mt -113.18 135.38 52.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.487 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -172.23 -177.87 42.04 Favored Glycine 0 N--CA 1.434 -1.499 0 C-N-CA 120.215 -0.993 . . . . 0.0 111.613 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.511 ' HB2' ' HA ' ' A' 1113 ' ' PRO . 2.5 p-80 -132.57 150.8 52.1 Favored 'General case' 0 C--N 1.312 -1.026 0 O-C-N 123.651 0.265 . . . . 0.0 110.565 -176.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.549 HD13 HG12 ' A' 1094 ' ' ILE . 19.7 mm -58.95 124.91 14.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.546 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -66.58 129.44 39.87 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.47 -9.17 69.25 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.346 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -162.31 90.17 1.36 Allowed Pre-proline 0 C--O 1.235 0.321 0 CA-C-O 120.959 0.409 . . . . 0.0 110.278 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . 0.511 ' HA ' ' HB2' ' A' 1108 ' ' HIS . 21.3 Cg_exo -65.6 -7.6 16.79 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.399 2.733 . . . . 0.0 112.603 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.06 -41.78 98.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.478 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' 1086 ' ' LEU . 36.0 mtt180 -86.08 89.57 7.86 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.776 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.482 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -138.77 166.65 23.86 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.545 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 153.45 -151.57 23.31 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.701 -0.959 . . . . 0.0 110.701 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' 1105 ' ' TRP . 15.4 m -92.82 140.39 16.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.013 0.435 . . . . 0.0 110.661 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.487 ' HE1' ' N ' ' A' 1107 ' ' GLY . 31.9 p90 -139.56 136.69 17.88 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.41 178.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.1 Cg_endo -65.51 123.61 11.68 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.731 2.287 . . . . 0.0 111.812 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' 1103 ' ' GLU . 12.5 t -65.01 -25.14 36.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.46 -175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 5.5 p -69.04 -16.28 63.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.592 -178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.402 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 9.2 m-85 -97.27 1.38 49.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.883 -176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.4 m -129.69 148.38 33.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -172.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.489 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.0 OUTLIER -104.08 121.32 42.96 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.541 HG12 HG12 ' A' 1072 ' ' VAL . 70.5 mt -75.02 136.25 25.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-O 121.364 0.602 . . . . 0.0 112.278 -170.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' 1073 ' ' LYS . 3.2 mt -101.91 117.99 35.98 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 175.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 4.7 m -90.25 39.58 0.97 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.492 0.663 . . . . 0.0 109.741 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.245 0.866 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.207 -177.6 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.557 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 17.6 tpp85 -142.24 98.65 3.35 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.741 0.782 . . . . 0.0 111.185 -178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 65.9 mtt180 -126.13 169.51 12.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 176.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.8 m -139.84 144.71 27.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 173.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.583 ' HB2' HD21 ' A' 1127 ' ' LEU . 9.7 tptp -108.38 106.49 16.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . . . . . . . . . 61.4 p -54.82 112.49 1.05 Allowed 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.542 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.451 HG23 ' HB2' ' A' 1125 ' ' HIS . 6.2 pt -102.52 5.33 10.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.173 0.511 . . . . 0.0 110.53 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -145.08 139.96 27.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.141 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.39 118.63 11.72 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 173.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 41.4 t -117.22 107.21 14.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.147 0.498 . . . . 0.0 111.454 -177.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -94.18 95.14 8.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.416 174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.57 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -54.91 146.85 16.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.394 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.33 -35.05 12.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.486 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -114.07 158.43 21.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.87 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.0 -16.78 62.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.191 0.52 . . . . 0.0 110.091 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -67.73 -30.87 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.69 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.57 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 36.8 mt-10 -87.07 153.0 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.268 -0.878 . . . . 0.0 108.849 175.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.553 HD23 HD13 ' A' 1094 ' ' ILE . 45.0 tp -91.03 138.64 31.45 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.235 0.54 . . . . 0.0 111.146 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 6.5 m -104.83 120.4 41.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.349 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.673 ' HB3' HD11 ' A' 1109 ' ' ILE . 26.3 p90 -146.7 158.82 43.99 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.657 -175.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.683 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.45 157.97 18.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 121.305 0.574 . . . . 0.0 110.367 178.082 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.409 ' HG3' ' C ' ' A' 1075 ' ' ILE . 8.6 tt0 -58.66 116.71 3.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.62 -173.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.88 -3.02 14.8 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.725 -0.75 . . . . 0.0 113.029 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.86 159.76 15.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.651 0.738 . . . . 0.0 112.13 -178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.546 HG22 ' HE2' ' A' 1073 ' ' LYS . 39.9 t -98.44 126.32 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.224 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.624 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 56.2 mt -114.11 129.05 70.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.4 121.36 47.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.557 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 78.6 t -72.27 112.98 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 124.044 0.84 . . . . 0.0 110.22 -177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 56.0 p -107.49 -2.6 20.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.354 -177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -175.45 174.17 46.67 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.887 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -140.71 136.8 32.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -124.07 -16.33 6.55 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 119.583 -0.847 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.78 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 14.8 t70 -148.94 -170.74 3.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -92.64 -25.03 18.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 0.0 110.063 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.634 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 9.3 pt-20 -116.82 11.29 14.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.499 0.666 . . . . 0.0 109.842 177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.78 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 89.4 m95 -137.92 105.74 5.64 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.897 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' A' 1118 ' ' VAL . 47.3 m0 -111.5 165.41 12.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.243 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.463 HG12 HG12 ' A' 1118 ' ' VAL . 98.8 mt -113.47 131.38 65.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.062 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.482 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -170.96 -176.17 40.01 Favored Glycine 0 N--CA 1.436 -1.356 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.9 -177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 1.6 p-80 -131.43 151.97 51.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 120.726 0.298 . . . . 0.0 110.989 -173.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.673 HD11 ' HB3' ' A' 1088 ' ' PHE . 23.7 mm -70.44 123.49 24.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.584 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.85 137.45 53.92 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.17 -23.09 34.97 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.138 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -146.83 80.78 9.46 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 174.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.91 -5.05 12.48 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.89 2.393 . . . . 0.0 112.863 -175.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -73.94 -28.01 61.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.397 0.618 . . . . 0.0 109.861 178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -94.35 92.03 6.98 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.569 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 21.4 pttp -139.99 161.96 36.35 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' 1106 ' ' ILE . . . 162.82 -152.52 22.73 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -176.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.463 HG12 HG12 ' A' 1106 ' ' ILE . 23.9 m -96.88 132.29 41.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.327 0.584 . . . . 0.0 110.786 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.486 ' HZ ' HG22 ' A' 1096 ' ' VAL . 25.8 p90 -129.62 140.78 39.67 Favored Pre-proline 0 C--N 1.315 -0.896 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.191 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.26 122.23 9.47 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.671 2.247 . . . . 0.0 111.752 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 12.1 t -67.71 -23.24 29.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.746 -176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 14.0 t -79.31 11.05 3.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -121.29 0.52 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.649 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 28.1 m -129.31 162.12 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.796 0.332 . . . . 0.0 111.557 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.451 ' HB2' HG23 ' A' 1075 ' ' ILE . 3.2 t60 -117.32 103.84 10.55 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.533 HG12 HG12 ' A' 1072 ' ' VAL . 68.0 mt -62.15 132.44 27.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -169.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.583 HD21 ' HB2' ' A' 1073 ' ' LYS . 11.6 mt -96.71 137.96 35.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.841 -1.072 . . . . 0.0 108.294 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 5.7 p -85.48 8.9 17.37 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.33 0.586 . . . . 0.0 111.751 -174.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.3 p-10 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.04 173.194 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.605 0.241 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.509 ' CG ' ' HB ' ' A' 1096 ' ' VAL . 7.2 tpt180 -149.53 99.13 2.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.429 -175.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 72.3 mtm-85 -131.33 157.15 44.12 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 34.0 m -131.13 150.42 34.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.025 177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.612 ' HB2' HD21 ' A' 1127 ' ' LEU . 18.3 tptm -116.21 102.84 9.94 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.548 HG22 HG12 ' A' 1124 ' ' VAL . 68.2 p -53.97 132.4 42.16 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.025 0.441 . . . . 0.0 111.462 -175.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.8 pt -118.97 -6.45 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.556 ' CD2' HG13 ' A' 1075 ' ' ILE . 96.0 m-85 -133.14 143.61 49.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.953 177.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 17.6 t70 -63.03 132.33 51.6 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.933 176.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 50.7 t -133.38 94.43 3.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.057 0.456 . . . . 0.0 110.318 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.575 ' HA ' HG23 ' A' 1087 ' ' THR . 6.8 pt20 -92.75 95.11 9.36 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.625 0.726 . . . . 0.0 109.881 176.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.526 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -55.8 141.65 37.81 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.399 -1.273 . . . . 0.0 113.027 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -99.4 -34.18 10.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.509 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.526 ' HB2' ' HG3' ' A' 1085 ' ' GLU . 10.7 m120 -90.14 159.74 16.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.31 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -76.08 -23.99 55.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.472 176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -83.76 -23.1 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.795 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.526 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 62.0 mt-10 -75.58 145.8 40.9 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.61 HD21 HG12 ' A' 1109 ' ' ILE . 53.9 tp -91.62 141.6 28.53 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.282 0.563 . . . . 0.0 111.167 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.575 HG23 ' HA ' ' A' 1079 ' ' GLN . 7.5 m -101.46 123.15 45.05 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.688 176.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -154.62 162.03 41.32 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.353 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.7 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.0 166.79 12.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 173.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.02 119.01 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.16 0.288 . . . . 0.0 110.623 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.99 -0.59 14.88 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.536 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.411 ' HG2' HD13 ' A' 1089 ' ' ILE . 10.1 mm-40 -84.6 136.07 33.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.16 0.505 . . . . 0.0 110.711 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' 1110 ' ' GLU . 28.7 t -91.77 124.57 44.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.448 175.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.565 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -116.8 129.01 74.04 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.98 178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1071 ' ' ARG . 24.7 mt -91.53 119.71 39.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 175.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.509 ' HB ' ' CG ' ' A' 1070 ' ' ARG . 59.6 t -69.99 113.89 6.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.729 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.408 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 57.5 p -108.24 -7.84 15.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.97 172.08 41.97 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.14 -0.552 . . . . 0.0 112.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -141.28 129.15 21.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.902 0.382 . . . . 0.0 110.21 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -104.29 -54.14 2.59 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.203 0.525 . . . . 0.0 110.901 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' 1102 ' ' GLN . 13.3 t70 -136.73 -167.48 2.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.72 -172.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.422 ' H ' ' CG ' ' A' 1101 ' ' ASP . 4.6 tp-100 -72.21 -38.34 69.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.52 0.676 . . . . 0.0 109.729 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' 1120 ' ' PRO . 5.3 pt-20 -120.92 18.9 11.76 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.773 -174.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 85.8 m95 -141.5 108.96 5.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.498 ' O ' ' HA ' ' A' 1118 ' ' VAL . 49.6 m0 -114.45 174.91 5.72 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.405 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 94.7 mt -120.85 136.64 57.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.488 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -169.56 -166.37 28.46 Favored Glycine 0 N--CA 1.441 -0.985 0 C-N-CA 120.001 -1.095 . . . . 0.0 112.577 -179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.55 ' CB ' ' HG2' ' A' 1116 ' ' LYS . 0.5 OUTLIER -134.33 154.93 51.05 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 123.602 0.236 . . . . 0.0 110.387 -178.717 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.61 HG12 HD21 ' A' 1086 ' ' LEU . 21.9 mm -75.15 132.39 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.43 174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.47 ' HG2' HG13 ' A' 1095 ' ' ILE . 6.0 mm-40 -72.33 132.88 44.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 93.71 -34.01 4.87 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.589 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -134.79 72.78 68.21 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.03 -3.46 13.68 Favored 'Trans proline' 0 CA--C 1.518 -0.306 0 C-N-CA 123.404 2.736 . . . . 0.0 112.99 -169.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -81.08 -14.27 57.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.142 0.496 . . . . 0.0 110.16 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' 1086 ' ' LEU . 33.9 mtt-85 -86.93 94.58 9.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.55 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 5.4 mtmp? -126.83 166.93 16.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.003 0.43 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 148.02 -157.73 27.44 Favored Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.015 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' 1105 ' ' TRP . 16.0 m -89.24 140.67 15.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.07 0.462 . . . . 0.0 110.772 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.488 ' HE1' ' N ' ' A' 1107 ' ' GLY . 29.8 p90 -139.44 136.85 18.14 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.061 178.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' 1103 ' ' GLU . 34.8 Cg_endo -66.88 122.07 9.36 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.681 2.254 . . . . 0.0 112.133 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.447 ' HA ' HG22 ' A' 1124 ' ' VAL . 42.4 t -65.31 -28.23 43.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.005 -177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 1.9 m -66.53 -16.51 64.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.789 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.488 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 7.6 m-85 -99.58 2.9 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.493 -177.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.586 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 26.7 m -127.74 157.44 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 0.0 111.945 -175.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -115.53 101.1 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.584 HG12 HG12 ' A' 1072 ' ' VAL . 66.4 mt -61.63 143.87 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.313 0.577 . . . . 0.0 112.479 -172.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.612 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.1 mt -103.25 122.48 44.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.463 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 17.5 p -96.49 29.79 2.79 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 171.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.635 -178.722 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.526 HH11 HG11 ' A' 1096 ' ' VAL . 41.6 ttm180 -83.7 137.47 33.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.433 . . . . 0.0 111.132 -175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -127.74 148.63 50.42 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 HG12 ' A' 1126 ' ' ILE . 32.6 m -132.06 152.64 37.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' 1127 ' ' LEU . 14.7 tptp -118.92 104.14 10.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.436 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.559 HG22 HG12 ' A' 1124 ' ' VAL . 70.9 p -54.55 133.13 46.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.966 -175.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . . . . . . . . . 12.4 pt -120.22 6.03 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.151 0.5 . . . . 0.0 111.025 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.535 ' N ' ' HB3' ' A' 1090 ' ' GLU . 79.3 m-85 -147.12 149.99 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.046 176.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -78.26 136.69 37.81 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . . . . . . . . . 20.7 t -130.48 108.08 9.69 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.942 0.401 . . . . 0.0 110.086 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -93.41 94.4 8.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.558 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' 1085 ' ' GLU . . . -40.67 126.72 2.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.829 -1.078 . . . . 0.0 113.196 -175.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.0 t70 -100.05 -30.21 12.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.67 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.587 ' HB2' ' HB2' ' A' 1085 ' ' GLU . 80.1 m-20 -94.35 148.81 21.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.397 175.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.37 -11.3 60.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.507 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 26.6 t70 -103.79 5.45 36.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.054 0.93 . . . . 0.0 109.374 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.587 ' HB2' ' HB2' ' A' 1082 ' ' ASN . 30.5 tt0 -92.14 169.91 10.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.814 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.764 HD21 HG12 ' A' 1109 ' ' ILE . 54.9 tp -116.03 142.26 47.03 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.949 0.404 . . . . 0.0 111.262 -178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 8.2 m -102.06 124.13 47.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.404 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.414 ' CD1' HG21 ' A' 1074 ' ' THR . 29.5 p90 -151.17 162.21 41.3 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.125 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . . . . . . . . . 2.8 pp -116.97 155.48 18.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.213 173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.535 ' HB3' ' N ' ' A' 1076 ' ' TYR . 2.1 pp20? -63.79 126.91 29.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.853 0.835 . . . . 0.0 111.082 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.68 -5.95 14.16 Favored Glycine 0 N--CA 1.439 -1.125 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.747 -177.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -92.94 151.1 20.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.487 HG22 ' HE2' ' A' 1073 ' ' LYS . 20.1 t -95.33 126.62 47.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.306 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.59 HG12 HD13 ' A' 1109 ' ' ILE . 55.6 mt -116.15 131.63 68.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 28.0 mt -96.84 120.89 46.76 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.526 HG11 HH11 ' A' 1070 ' ' ARG . 44.6 t -73.23 111.75 8.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.406 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.416 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 59.2 p -106.7 -6.14 18.07 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.177 -176.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.93 171.83 44.69 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.267 -0.492 . . . . 0.0 111.995 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -134.87 126.39 28.68 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.457 ' OE1' HG11 ' A' 1118 ' ' VAL . 1.9 pt-20 -113.21 -12.2 13.14 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 120.254 -0.579 . . . . 0.0 110.695 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.0 t70 -159.23 -173.65 4.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -81.28 -38.28 27.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 118.552 0.615 . . . . 0.0 110.036 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.1 pt-20 -112.46 16.07 19.98 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 120.946 0.403 . . . . 0.0 110.589 -179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.722 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 81.9 m95 -138.09 104.6 5.27 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.627 0.727 . . . . 0.0 110.429 178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' A' 1118 ' ' VAL . 52.0 m0 -113.9 167.96 10.21 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.169 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.403 HG12 HG12 ' A' 1118 ' ' VAL . 91.1 mt -113.19 135.2 53.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.416 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -166.39 -164.75 22.54 Favored Glycine 0 N--CA 1.437 -1.264 0 C-N-CA 120.094 -1.051 . . . . 0.0 112.041 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.405 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 1.7 p-80 -141.18 149.01 40.89 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.764 HG12 HD21 ' A' 1086 ' ' LEU . 17.7 mm -68.39 125.45 26.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 173.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.455 ' HB3' ' HB ' ' A' 1093 ' ' VAL . 9.8 tp10 -70.81 130.05 40.67 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 96.5 -28.95 11.21 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.18 -172.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -132.64 78.8 66.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.06 -11.78 33.11 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 123.202 2.601 . . . . 0.0 113.075 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -77.56 -20.59 53.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.422 0.629 . . . . 0.0 109.947 176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.455 ' HB3' HD11 ' A' 1086 ' ' LEU . 14.6 mmt180 -86.72 86.83 7.35 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.482 178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 18.1 mtmm -125.98 171.9 10.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.409 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 144.4 -164.42 27.68 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.344 177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' 1105 ' ' TRP . 19.3 m -88.27 140.85 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.203 0.525 . . . . 0.0 110.795 177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.445 ' HZ ' HG22 ' A' 1096 ' ' VAL . 27.6 p90 -138.46 139.73 25.79 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.049 179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' 1103 ' ' GLU . 37.4 Cg_endo -67.54 117.28 4.74 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.617 2.211 . . . . 0.0 111.971 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.4 ' HA ' HG22 ' A' 1124 ' ' VAL . 30.9 t -64.69 -27.82 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.098 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.0 m -65.76 -13.53 59.57 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.409 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 5.3 m-85 -102.35 1.73 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.569 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 31.2 m -124.65 156.03 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.802 0.334 . . . . 0.0 111.339 -176.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.88 105.76 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.586 HG12 HG12 ' A' 1072 ' ' VAL . 39.8 mt -67.63 137.07 25.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.161 0.505 . . . . 0.0 111.831 -171.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' 1073 ' ' LYS . 14.8 mt -87.53 106.02 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.791 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 10.3 p -87.33 25.02 1.47 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.49 0.662 . . . . 0.0 110.085 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.632 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.64 -0.133 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.625 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 mtt180 -57.77 125.7 24.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.168 0.509 . . . . 0.0 111.903 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1127 ' ' LEU . 82.7 mtt85 -129.8 161.16 31.39 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 175.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 35.6 m -142.49 144.5 24.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -114.33 115.51 27.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.135 0.493 . . . . 0.0 109.757 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' 1088 ' ' PHE . 82.3 p -56.18 111.54 0.99 Allowed 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.997 -177.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.502 HG13 ' CD2' ' A' 1076 ' ' TYR . 8.7 pt -101.35 3.9 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.445 0.641 . . . . 0.0 109.853 178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' 1123 ' ' PHE . 94.8 m-85 -137.62 138.46 39.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.793 176.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -68.33 128.09 35.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.411 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.419 ' HB3' ' CE1' ' A' 1088 ' ' PHE . 53.6 t -127.77 93.65 3.75 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.022 0.439 . . . . 0.0 110.738 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -89.13 89.02 7.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.119 0.485 . . . . 0.0 109.723 175.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.573 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -49.87 141.95 9.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.526 -175.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.9 t70 -96.05 -32.02 12.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.412 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.29 150.68 35.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.456 176.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.58 -5.4 45.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.09 0.471 . . . . 0.0 110.812 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -76.41 -27.23 56.2 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.759 0.79 . . . . 0.0 109.276 172.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.573 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 25.9 mt-10 -87.04 147.24 25.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.51 -1.223 . . . . 0.0 109.186 178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 61.8 tp -84.79 139.07 32.21 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.705 178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 4.9 m -102.22 124.77 48.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.243 -0.889 . . . . 0.0 109.51 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' 1074 ' ' THR . 14.7 p90 -157.92 163.97 37.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.087 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.684 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -120.12 166.19 14.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -53.71 120.73 6.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 0.0 111.228 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 118.15 -4.73 15.88 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.796 174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.422 ' HG2' HD13 ' A' 1089 ' ' ILE . 24.3 mm-40 -82.12 131.07 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.068 0.461 . . . . 0.0 110.555 179.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 99.0 t -87.74 130.78 36.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.548 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 72.9 mt -121.43 135.06 62.81 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.462 HG13 ' HB2' ' A' 1110 ' ' GLU . 6.7 mt -94.75 119.24 42.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 175.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.625 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 40.4 t -71.39 112.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.487 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.539 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 65.2 p -100.55 -20.38 15.73 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 -177.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.07 176.23 40.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.71 138.06 45.61 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.434 ' OE1' HG11 ' A' 1118 ' ' VAL . 4.5 pt-20 -113.71 -31.06 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.34 0.59 . . . . 0.0 110.049 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.787 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 18.5 t70 -140.7 -179.64 6.16 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -81.0 -26.42 36.48 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.096 0.474 . . . . 0.0 110.164 -179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.557 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 5.2 pt-20 -115.01 10.45 16.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.258 0.551 . . . . 0.0 110.46 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.787 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 90.5 m95 -137.16 109.98 7.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.777 -177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.5 m0 -112.05 166.03 11.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.771 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.536 HG12 HG12 ' A' 1118 ' ' VAL . 97.1 mt -121.77 137.44 55.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.049 -177.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.539 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.97 -158.14 15.43 Favored Glycine 0 N--CA 1.436 -1.339 0 C-N-CA 119.739 -1.219 . . . . 0.0 112.162 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.489 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 2.5 p-80 -145.39 148.65 33.57 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.576 HG13 ' HB3' ' A' 1115 ' ' ARG . 1.0 OUTLIER -67.13 124.82 23.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.712 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.462 ' HB2' HG13 ' A' 1095 ' ' ILE . 7.7 tt0 -61.58 118.76 7.47 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.479 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.63 -22.75 37.34 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.243 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.486 HE21 HG22 ' A' 1109 ' ' ILE . 1.9 mp0 -124.8 81.0 61.97 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.963 0.411 . . . . 0.0 109.946 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -73.98 -4.89 16.15 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.297 2.665 . . . . 0.0 113.196 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -86.33 1.65 50.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.542 0.687 . . . . 0.0 110.017 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.576 ' HB3' HG13 ' A' 1109 ' ' ILE . 8.1 mmt85 -120.46 86.64 2.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.405 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.489 ' HA ' ' HA ' ' A' 1108 ' ' HIS . 26.8 mtmt -118.46 177.16 4.92 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 143.5 -161.6 27.69 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.346 -0.93 . . . . 0.0 111.789 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.536 HG12 HG12 ' A' 1106 ' ' ILE . 14.6 m -98.22 144.67 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.851 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.422 ' CE2' HG21 ' A' 1072 ' ' VAL . 18.1 p90 -140.27 133.97 15.27 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.684 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.69 125.47 14.94 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.574 2.182 . . . . 0.0 111.346 176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.424 HG23 ' C ' ' A' 1103 ' ' GLU . 13.7 t -64.86 -27.57 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.576 -173.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.1 t -76.05 -7.62 55.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.953 0.406 . . . . 0.0 110.664 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.526 ' HA ' ' CD2' ' A' 1076 ' ' TYR . 6.3 m-85 -97.25 -0.49 46.59 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.476 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.648 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 35.4 m -130.96 153.76 39.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 112.18 -174.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.437 ' HB2' HG23 ' A' 1075 ' ' ILE . 1.8 t60 -103.54 106.43 16.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.422 -0.808 . . . . 0.0 108.885 177.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.573 HG12 HG12 ' A' 1072 ' ' VAL . 51.3 mt -70.03 143.93 14.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -171.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' 1071 ' ' ARG . 9.1 mt -113.02 128.79 56.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.218 177.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.9 t -90.08 47.08 1.41 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.275 0.56 . . . . 0.0 110.035 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.744 -0.646 . . . . 0.0 111.373 -179.585 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.437 0.637 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.463 ' HG3' ' HB ' ' A' 1096 ' ' VAL . 3.2 tpt180 -84.22 101.64 12.03 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.945 -178.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -126.36 173.2 9.51 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1124 ' ' VAL . 26.9 m -141.72 147.63 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.569 ' HE2' ' HA2' ' A' 1091 ' ' GLY . 22.5 tptm -113.15 104.54 12.46 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.551 HG22 HG12 ' A' 1124 ' ' VAL . 72.3 p -54.63 123.15 12.3 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.101 0.477 . . . . 0.0 111.57 -175.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.439 HG13 ' CD2' ' A' 1076 ' ' TYR . 6.4 pt -107.82 -3.56 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.713 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.439 ' CD2' HG13 ' A' 1075 ' ' ILE . 81.3 m-85 -136.0 151.82 50.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.76 123.3 25.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.683 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.463 ' HB3' ' CZ ' ' A' 1088 ' ' PHE . 45.2 t -125.21 103.36 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.055 0.455 . . . . 0.0 110.196 179.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.408 ' HA ' HG23 ' A' 1087 ' ' THR . 75.2 mt-30 -95.96 95.29 8.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.707 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.21 130.76 48.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.294 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 32.0 t70 -83.92 -29.29 27.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.584 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -107.56 149.12 28.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.024 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.91 -8.06 55.38 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.208 0.528 . . . . 0.0 110.126 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.37 -22.08 55.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.217 174.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.561 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 29.8 mt-10 -102.15 153.15 20.21 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.622 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.463 HD23 HD13 ' A' 1094 ' ' ILE . 58.0 tp -90.91 139.88 30.34 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.342 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.408 HG23 ' HA ' ' A' 1079 ' ' GLN . 6.8 m -100.86 130.31 46.85 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.35 176.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' 1078 ' ' CYS . 20.3 p90 -159.51 166.32 31.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -125.2 167.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 175.14 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.85 114.15 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 123.421 0.451 . . . . 0.0 110.875 -178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . 0.569 ' HA2' ' HE2' ' A' 1073 ' ' LYS . . . 118.24 5.88 12.67 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 121.003 -0.618 . . . . 0.0 113.152 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.471 ' HG2' HD13 ' A' 1089 ' ' ILE . 59.0 mm-40 -89.11 143.82 26.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.05 0.452 . . . . 0.0 110.545 175.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 47.4 t -102.06 125.77 56.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.824 177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.614 HG12 HD13 ' A' 1109 ' ' ILE . 56.2 mt -118.74 138.31 49.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.734 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.611 HD13 ' CD2' ' A' 1108 ' ' HIS . 3.9 mp -93.4 122.54 44.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 173.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' 1070 ' ' ARG . 62.1 t -69.16 108.7 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.44 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 76.1 p -112.72 1.72 15.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.644 -174.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -171.41 168.28 41.4 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.426 178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -141.73 120.4 12.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.924 0.393 . . . . 0.0 110.619 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' 1106 ' ' ILE . 10.2 mm-40 -96.11 -43.08 7.91 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.564 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 8.1 t70 -148.43 -162.02 1.47 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -84.45 -31.17 24.73 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.641 ' HG3' ' CD1' ' A' 1104 ' ' TRP . 6.4 pt-20 -110.37 11.26 23.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.078 0.466 . . . . 0.0 110.75 -179.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.641 ' CD1' ' HG3' ' A' 1103 ' ' GLU . 94.1 m95 -139.62 107.97 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.865 -177.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -116.45 165.85 12.75 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.153 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.444 HG13 ' HG2' ' A' 1100 ' ' GLU . 80.3 mt -114.1 140.89 32.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.473 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -165.45 -174.98 35.62 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.557 -1.306 . . . . 0.0 112.804 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.611 ' CD2' HD13 ' A' 1095 ' ' ILE . 2.0 p-80 -136.86 146.39 45.52 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.614 HD13 HG12 ' A' 1094 ' ' ILE . 21.1 mm -67.06 135.18 29.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.574 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.499 ' HG2' HD11 ' A' 1095 ' ' ILE . 1.5 mm-40 -53.15 115.99 2.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.821 175.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 94.97 -11.06 69.94 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.891 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -133.91 92.4 22.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 120.794 0.33 . . . . 0.0 111.308 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.83 0.42 6.48 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.857 2.371 . . . . 0.0 110.461 171.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.26 -36.08 22.93 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.028 174.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -90.55 90.97 8.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.173 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.505 ' HG2' ' CB ' ' A' 1108 ' ' HIS . 24.4 mtmm -132.19 173.94 10.73 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.843 0.354 . . . . 0.0 110.605 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 142.07 -167.04 26.16 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.279 -0.963 . . . . 0.0 112.156 174.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 15.1 m -83.96 143.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.011 0.434 . . . . 0.0 111.091 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.475 ' CE2' HG21 ' A' 1072 ' ' VAL . 31.7 p90 -144.59 134.33 11.62 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.51 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' 1103 ' ' GLU . 27.7 Cg_endo -65.06 124.63 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.72 2.28 . . . . 0.0 111.565 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . . . . . . . . . 21.2 t -65.18 -25.07 36.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.576 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 33.0 t -75.88 -3.8 37.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.774 0.321 . . . . 0.0 111.015 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.439 ' HA ' ' HD2' ' A' 1076 ' ' TYR . 13.5 m-85 -102.66 0.59 33.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.937 0.398 . . . . 0.0 110.887 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.615 ' HB ' ' HB ' ' A' 1072 ' ' VAL . 34.2 m -132.37 159.7 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.218 -176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -116.36 108.1 15.64 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.57 HG12 HG12 ' A' 1072 ' ' VAL . 60.0 mt -65.77 141.71 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -168.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' 1073 ' ' LYS . 2.4 mt -115.22 135.46 54.15 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.288 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -96.81 13.98 26.77 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 168.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.957 -179.434 . . . . . . . . 0 0 . 1 stop_ save_