data_1jrm_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 1jrm _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 99' ' ' PHE . 6.1 mt -103.71 115.44 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 2' ' ' ILE . 0.6 OUTLIER -168.29 25.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.455 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 19.5 mmt -116.83 162.23 18.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -97.33 174.91 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.712 ' CB ' ' HB3' ' A' ' 32' ' ' TYR . 4.6 p 170.44 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.521 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -84.69 131.3 34.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.802 ' N ' ' O ' ' A' ' 15' ' ' LEU . 4.9 ttm105 -110.06 123.53 49.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.33 105.87 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 13' ' ' ASP . 17.1 t -127.93 104.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 13' ' ' ASP . . . 54.19 -148.71 19.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' CA ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -72.76 9.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' ' 11' ' ' GLY . 24.0 m-20 -122.0 164.48 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.735 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.84 139.72 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -111.3 134.5 52.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.567 ' CG2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -132.46 144.18 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.719 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 1.2 m-80 -97.95 112.6 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.839 ' HB ' HG21 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -159.55 -174.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.504 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -89.14 163.01 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.741 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 7.7 p -67.29 89.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.661 ' HB2' ' CD1' ' A' ' 43' ' ' ILE . 73.6 p -177.38 132.63 0.35 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.849 ' CG ' ' HA ' ' A' ' 56' ' ' ILE . 18.3 Cg_endo -74.99 -93.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 1.173 ' HA ' ' O ' ' A' ' 42' ' ' LYS . . . 176.05 120.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.607 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -74.73 -171.0 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . -21.62 113.11 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 13.2 mttt 69.82 105.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.682 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 17.4 t80 -38.76 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.54 93.61 0.72 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.766 ' CD1' ' CZ ' ' A' ' 60' ' ' PHE . 8.5 mt -147.21 96.45 4.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.509 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 18.4 Cg_endo -75.0 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.569 ' O ' HD11 ' A' ' 39' ' ' ILE . 7.2 p -79.16 154.22 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.719 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -108.92 157.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 111.03 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.3 m-20 -127.97 150.08 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.97 -38.98 79.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -50.21 -52.09 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -84.79 -22.99 29.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.691 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 2.3 ptmt 44.58 24.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.63 ' HB2' ' CG ' ' A' ' 78' ' ' GLN . 6.7 tpt180 -155.71 126.2 6.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.839 HG21 ' HB ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -104.01 155.69 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.58 112.71 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 22' ' ' PRO . 2.5 t -103.36 162.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 1.173 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.1 ttpt -108.19 134.37 51.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.664 ' CG2' ' HD2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -161.24 -174.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.883 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 37.3 m80 -72.3 -168.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.87 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -92.95 -26.07 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 1.053 ' CD ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.0 -29.56 8.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 1.053 ' HD3' ' CD ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 -43.47 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 5.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 47' ' ' PRO . 1.3 ttpm? -105.94 -1.58 23.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.14 2.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.525 ' HB3' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.73 -24.22 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.741 ' HB1' ' O ' ' A' ' 20' ' ' VAL . . . -45.03 -25.52 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.533 ' OD1' ' CD1' ' A' ' 70' ' ' ILE . 1.2 m-20 -65.55 -61.11 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -30.21 63.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.609 ' C ' ' HG3' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -69.59 -29.67 67.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 1.016 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -50.64 -62.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.706 ' O ' ' HB3' ' A' ' 61' ' ' SER . 2.4 mp -59.21 -26.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.83 -59.11 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.718 ' O ' ' N ' ' A' ' 63' ' ' THR . 2.1 mt-10 -77.2 -61.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 1.016 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -41.76 -55.07 3.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.777 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 9.7 t -61.58 -35.29 77.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 7.1 mt-10 -78.22 -41.91 32.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.718 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -51.21 -51.57 52.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CE2' ' CE ' ' A' ' 86' ' ' MET . 2.8 t80 -102.76 -42.18 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.777 ' HA2' ' O ' ' A' ' 61' ' ' SER . . . 107.62 18.77 9.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.575 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -112.48 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.799 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.643 ' HB2' ' HB3' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -92.46 148.8 21.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.608 ' CG1' ' CG2' ' A' ' 56' ' ' ILE . 6.6 t -144.57 152.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -157.41 131.49 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.547 HG22 ' CE ' ' A' ' 79' ' ' LYS . 3.1 mp -74.8 113.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.827 ' N ' ' O ' ' A' ' 80' ' ' THR . 2.1 t -102.99 -143.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 1.049 ' HB3' ' CA ' ' A' ' 79' ' ' LYS . 29.5 t 50.04 -118.57 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' A' ' 79' ' ' LYS . . . -145.36 97.62 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.615 ' HA ' ' CG ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -70.04 -21.01 63.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 0.748 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -50.12 -38.89 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.425 ' C ' ' H ' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -102.7 21.61 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.538 ' HG2' ' N ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER 71.35 -47.01 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.63 ' CG ' ' HB2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -74.23 111.78 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 1.049 ' CA ' ' HB3' ' A' ' 72' ' ' SER . 0.0 OUTLIER -141.62 -166.98 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -125.22 125.51 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.361 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.69 ' CD1' ' CZ ' ' A' ' 60' ' ' PHE . 31.4 pt -84.77 114.36 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 5.7 ttm-85 -97.6 116.33 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.579 ' HB ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -98.05 132.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.643 ' HB3' ' HB2' ' A' ' 67' ' ' ASP . 39.8 tt0 -103.13 137.07 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.628 ' CA ' ' O ' ' A' ' 12' ' ' ASP . . . 80.4 -3.31 73.58 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.933 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -111.45 166.56 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.933 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -130.1 -154.86 8.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.499 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 6.1 ttt180 -80.93 -59.76 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 2.6 m-20 -50.5 -38.51 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.545 ' CB ' ' CE ' ' A' ' 86' ' ' MET . 4.6 mt -55.15 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 91' ' ' PHE . 4.5 t80 -50.73 -44.3 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD22 ' CG1' ' A' ' 103' ' ' ILE . 2.0 mt -65.63 -45.46 82.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -48.61 -53.94 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.59 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -58.42 -43.22 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.745 ' O ' ' CB ' ' A' ' 99' ' ' PHE . 13.8 t -62.97 -43.3 98.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.906 ' O ' ' HA2' ' A' ' 100' ' ' GLY . 5.0 t -73.09 -30.83 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -78.9 -50.57 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -86.19 -58.36 2.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.745 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -72.53 -10.07 59.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.906 ' HA2' ' O ' ' A' ' 96' ' ' SER . . . 52.93 23.17 14.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.447 ' N ' ' HA ' ' A' ' 96' ' ' SER . 1.6 mp -121.66 143.66 49.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.91 149.59 42.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.516 ' CG1' HD22 ' A' ' 92' ' ' LEU . 60.3 mt -113.42 111.56 49.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 2' ' ' ILE . 2.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.893 ' O ' HG23 ' A' ' 3' ' ' THR . 6.1 mt -103.71 115.44 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.893 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.6 OUTLIER -168.29 25.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.63 ' O ' HG21 ' A' ' 103' ' ' ILE . 19.5 mmt -116.83 162.23 18.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.614 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -97.33 174.91 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.919 ' SG ' HD23 ' A' ' 7' ' ' LEU . 4.6 p 170.44 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.919 HD23 ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -84.69 131.3 34.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.802 ' N ' ' O ' ' A' ' 15' ' ' LEU . 4.9 ttm105 -110.06 123.53 49.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.33 105.87 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 13' ' ' ASP . 17.1 t -127.93 104.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 13' ' ' ASP . . . 54.19 -148.71 19.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' CA ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -72.76 9.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 11' ' ' GLY . 24.0 m-20 -122.0 164.48 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.068 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.84 139.72 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -111.3 134.5 52.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 1.0 ' CG2' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -132.46 144.18 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.718 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -97.95 112.6 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.914 ' HB ' HG22 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -159.55 -174.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -89.14 163.01 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.758 HG21 ' ND2' ' A' ' 53' ' ' ASN . 7.7 p -67.29 89.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.91 ' H ' HD11 ' A' ' 56' ' ' ILE . 73.6 p -177.38 132.63 0.35 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 1.055 ' HD2' HG21 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 -93.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.179 ' HA ' ' O ' ' A' ' 42' ' ' LYS . . . 176.05 120.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.607 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -74.73 -171.0 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . -21.62 113.11 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 13.2 mttt 69.82 105.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.689 ' HE1' HD12 ' A' ' 29' ' ' ILE . 17.4 t80 -38.76 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.904 ' H ' ' HB1' ' A' ' 23' ' ' ALA . . . -111.54 93.61 0.72 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.913 HD11 ' O ' ' A' ' 22' ' ' PRO . 8.5 mt -147.21 96.45 4.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.611 ' HB3' HD11 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -75.0 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.641 ' HB3' HD11 ' A' ' 103' ' ' ILE . 7.2 p -79.16 154.22 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.718 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -108.92 157.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 111.03 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.3 m-20 -127.97 150.08 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.97 -38.98 79.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -50.21 -52.09 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -84.79 -22.99 29.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 2.3 ptmt 44.58 24.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' HB2' ' CG ' ' A' ' 78' ' ' GLN . 6.7 tpt180 -155.71 126.2 6.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.914 HG22 ' HB ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -104.01 155.69 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.58 112.71 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 t -103.36 162.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 1.179 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.1 ttpt -108.19 134.37 51.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.055 HG21 ' HD2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -161.24 -174.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.883 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 37.3 m80 -72.3 -168.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.87 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -92.95 -26.07 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 1.054 ' CD ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.0 -29.56 8.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 1.054 ' HD3' ' CD ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 -43.47 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 5.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 47' ' ' PRO . 1.3 ttpm? -105.94 -1.58 23.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.14 2.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.73 -24.22 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 47' ' ' PRO . . . -45.03 -25.52 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.922 ' OD1' HD13 ' A' ' 70' ' ' ILE . 1.2 m-20 -65.55 -61.11 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -30.21 63.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.609 ' C ' ' HG3' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -69.59 -29.67 67.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.016 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -50.64 -62.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.706 ' O ' ' HB3' ' A' ' 61' ' ' SER . 2.4 mp -59.21 -26.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.83 -59.11 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.718 ' O ' ' N ' ' A' ' 63' ' ' THR . 2.1 mt-10 -77.2 -61.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 1.016 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -41.76 -55.07 3.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.777 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 9.7 t -61.58 -35.29 77.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 7.1 mt-10 -78.22 -41.91 32.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.718 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -51.21 -51.57 52.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CE2' ' CE ' ' A' ' 86' ' ' MET . 2.8 t80 -102.76 -42.18 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.777 ' HA2' ' O ' ' A' ' 61' ' ' SER . . . 107.62 18.77 9.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.664 ' HE ' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -112.48 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.799 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.766 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -92.46 148.8 21.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.748 HG11 HG23 ' A' ' 56' ' ' ILE . 6.6 t -144.57 152.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -157.41 131.49 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.922 HD13 ' OD1' ' A' ' 53' ' ' ASN . 3.1 mp -74.8 113.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.827 ' N ' ' O ' ' A' ' 80' ' ' THR . 2.1 t -102.99 -143.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 1.049 ' HB3' ' CA ' ' A' ' 79' ' ' LYS . 29.5 t 50.04 -118.57 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' H ' ' HA ' ' A' ' 79' ' ' LYS . . . -145.36 97.62 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.588 ' HA ' ' CG ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -70.04 -21.01 63.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 0.748 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -50.12 -38.89 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -102.7 21.61 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HG2' ' N ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER 71.35 -47.01 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.629 ' CG ' ' HB2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -74.23 111.78 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 1.049 ' CA ' ' HB3' ' A' ' 72' ' ' SER . 0.0 OUTLIER -141.62 -166.98 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -125.22 125.51 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.361 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.709 HD12 ' CZ ' ' A' ' 60' ' ' PHE . 31.4 pt -84.77 114.36 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.766 ' HB2' HG21 ' A' ' 71' ' ' VAL . 5.7 ttm-85 -97.6 116.33 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -98.05 132.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.644 ' HB3' ' HB2' ' A' ' 67' ' ' ASP . 10.2 tt0 -103.13 137.07 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.628 ' CA ' ' O ' ' A' ' 12' ' ' ASP . . . 80.4 -3.31 73.58 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.933 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -111.45 166.56 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.933 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -130.1 -154.86 8.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.84 ' HG2' HD12 ' A' ' 7' ' ' LEU . 6.1 ttt180 -80.93 -59.76 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 2.6 m-20 -50.5 -38.51 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 86' ' ' MET . 4.6 mt -55.15 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 16' ' ' VAL . 4.5 t80 -50.73 -44.3 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.865 HD11 ' HB ' ' A' ' 103' ' ' ILE . 2.0 mt -65.63 -45.46 82.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -48.61 -53.94 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.72 HD22 ' HD3' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -58.42 -43.22 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.745 ' O ' ' CB ' ' A' ' 99' ' ' PHE . 13.8 t -62.97 -43.3 98.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.905 ' O ' ' HA2' ' A' ' 100' ' ' GLY . 5.0 t -73.09 -30.83 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -78.9 -50.57 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.72 ' HD3' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.19 -58.36 2.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.745 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -72.53 -10.07 59.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.905 ' HA2' ' O ' ' A' ' 96' ' ' SER . . . 52.93 23.17 14.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' ' 2' ' ' ILE . 1.6 mp -121.66 143.66 49.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.91 149.59 42.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.865 ' HB ' HD11 ' A' ' 92' ' ' LEU . 60.3 mt -113.42 111.56 49.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 2' ' ' ILE . 2.0 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.893 ' O ' HG23 ' A' ' 3' ' ' THR . 6.1 mt -103.71 115.44 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.893 HG23 ' O ' ' A' ' 2' ' ' ILE . 0.6 OUTLIER -168.29 25.53 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.63 ' O ' HG21 ' A' ' 103' ' ' ILE . 19.5 mmt -116.83 162.23 18.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.614 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -97.33 174.91 6.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.919 ' SG ' HD23 ' A' ' 7' ' ' LEU . 4.6 p 170.44 -27.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 108.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.919 HD23 ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -84.69 131.3 34.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.802 ' N ' ' O ' ' A' ' 15' ' ' LEU . 4.9 ttm105 -110.06 123.53 49.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.33 105.87 13.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 13' ' ' ASP . 17.1 t -127.93 104.84 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 13' ' ' ASP . . . 54.19 -148.71 19.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.628 ' O ' ' CA ' ' A' ' 85' ' ' GLY . 0.4 OUTLIER -72.76 9.11 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 0.78 . . . . 0.0 109.341 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 11' ' ' GLY . 24.0 m-20 -122.0 164.48 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.068 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -138.84 139.72 38.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.802 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -111.3 134.5 52.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 1.0 ' CG2' HD11 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -132.46 144.18 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.718 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 1.2 m-80 -97.95 112.6 24.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.914 ' HB ' HG22 ' A' ' 39' ' ' ILE . 1.0 OUTLIER -159.55 -174.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.503 ' HB3' ' NE ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -89.14 163.01 15.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.758 HG21 ' ND2' ' A' ' 53' ' ' ASN . 7.7 p -67.29 89.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.91 ' H ' HD11 ' A' ' 56' ' ' ILE . 73.6 p -177.38 132.63 0.35 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 1.055 ' HD2' HG21 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -74.99 -93.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.179 ' HA ' ' O ' ' A' ' 42' ' ' LYS . . . 176.05 120.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.607 ' OG ' ' N ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -74.73 -171.0 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.975 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.607 ' N ' ' OG ' ' A' ' 24' ' ' SER . . . -21.62 113.11 0.01 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 25' ' ' GLY . 13.2 mttt 69.82 105.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.689 ' HE1' HD12 ' A' ' 29' ' ' ILE . 17.4 t80 -38.76 104.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.904 ' H ' ' HB1' ' A' ' 23' ' ' ALA . . . -111.54 93.61 0.72 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.913 HD11 ' O ' ' A' ' 22' ' ' PRO . 8.5 mt -147.21 96.45 4.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.536 0.786 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.611 ' HB3' HD11 ' A' ' 2' ' ' ILE . 18.4 Cg_endo -75.0 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.479 1.779 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.641 ' HB3' HD11 ' A' ' 103' ' ' ILE . 7.2 p -79.16 154.22 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.718 ' CE2' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -108.92 157.27 18.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.088 . . . . 0.0 111.03 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 37' ' ' LYS . 1.3 m-20 -127.97 150.08 50.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -68.97 -38.98 79.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.9 t-105 -50.21 -52.09 38.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -84.79 -22.99 29.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.305 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HA ' ' CE2' ' A' ' 32' ' ' TYR . 2.3 ptmt 44.58 24.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' HB2' ' CG ' ' A' ' 78' ' ' GLN . 6.7 tpt180 -155.71 126.2 6.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.914 HG22 ' HB ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -104.01 155.69 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -103.58 112.71 25.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 18' ' ' ILE . 2.5 t -103.36 162.76 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 1.179 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 23.1 ttpt -108.19 134.37 51.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.055 HG21 ' HD2' ' A' ' 22' ' ' PRO . 0.4 OUTLIER -161.24 -174.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.883 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 37.3 m80 -72.3 -168.17 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.599 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.87 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -92.95 -26.07 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.026 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 1.054 ' CD ' ' HD3' ' A' ' 47' ' ' PRO . 18.3 Cg_endo -75.0 -29.56 8.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 1.054 ' HD3' ' CD ' ' A' ' 46' ' ' PRO . 18.4 Cg_endo -74.97 -43.47 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 5.44 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 47' ' ' PRO . 1.3 ttpm? -105.94 -1.58 23.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.21 -37.14 2.13 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -56.73 -24.22 48.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.267 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 47' ' ' PRO . . . -45.03 -25.52 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.922 ' OD1' HD13 ' A' ' 70' ' ' ILE . 1.2 m-20 -65.55 -61.11 2.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.98 -30.21 63.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.609 ' C ' ' HG3' ' A' ' 22' ' ' PRO . 0.7 OUTLIER -69.59 -29.67 67.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.016 ' O ' ' HB2' ' A' ' 60' ' ' PHE . 0.7 OUTLIER -50.64 -62.11 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.706 ' O ' ' HB3' ' A' ' 61' ' ' SER . 2.4 mp -59.21 -26.91 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.83 -59.11 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.718 ' O ' ' N ' ' A' ' 63' ' ' THR . 2.1 mt-10 -77.2 -61.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 1.016 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -41.76 -55.07 3.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.777 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 9.7 t -61.58 -35.29 77.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 7.1 mt-10 -78.22 -41.91 32.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.253 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.718 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -51.21 -51.57 52.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.384 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.59 ' CE2' ' CE ' ' A' ' 86' ' ' MET . 2.8 t80 -102.76 -42.18 5.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.777 ' HA2' ' O ' ' A' ' 61' ' ' SER . . . 107.62 18.77 9.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.664 ' HE ' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -112.48 -175.96 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 0.799 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.766 ' O ' HG23 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -92.46 148.8 21.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.748 HG11 HG23 ' A' ' 56' ' ' ILE . 6.6 t -144.57 152.06 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER -157.41 131.49 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.922 HD13 ' OD1' ' A' ' 53' ' ' ASN . 3.1 mp -74.8 113.47 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.827 ' N ' ' O ' ' A' ' 80' ' ' THR . 2.1 t -102.99 -143.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 1.049 ' HB3' ' CA ' ' A' ' 79' ' ' LYS . 29.5 t 50.04 -118.57 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.456 ' H ' ' HA ' ' A' ' 79' ' ' LYS . . . -145.36 97.62 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.588 ' HA ' ' CG ' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -70.04 -21.01 63.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 0.748 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.8 mtmt -50.12 -38.89 41.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -102.7 21.61 15.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.537 ' HG2' ' N ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER 71.35 -47.01 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.629 ' CG ' ' HB2' ' A' ' 38' ' ' ARG . 0.6 OUTLIER -74.23 111.78 9.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 1.049 ' CA ' ' HB3' ' A' ' 72' ' ' SER . 0.0 OUTLIER -141.62 -166.98 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 71' ' ' VAL . 1.0 OUTLIER -125.22 125.51 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.361 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.709 HD12 ' CZ ' ' A' ' 60' ' ' PHE . 31.4 pt -84.77 114.36 24.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.766 ' HB2' HG21 ' A' ' 71' ' ' VAL . 5.7 ttm-85 -97.6 116.33 29.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.766 HG23 ' O ' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -98.05 132.76 42.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.644 ' HB3' ' HB2' ' A' ' 67' ' ' ASP . 39.8 tt0 -103.13 137.07 41.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.25 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.628 ' CA ' ' O ' ' A' ' 12' ' ' ASP . . . 80.4 -3.31 73.58 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.933 ' HG3' ' N ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -111.45 166.56 11.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 110.967 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.933 ' N ' ' HG3' ' A' ' 86' ' ' MET . . . -130.1 -154.86 8.18 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.058 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.84 ' HG2' HD12 ' A' ' 7' ' ' LEU . 6.1 ttt180 -80.93 -59.76 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 0.779 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.593 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 2.6 m-20 -50.5 -38.51 44.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.928 HD12 ' HA ' ' A' ' 86' ' ' MET . 4.6 mt -55.15 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 16' ' ' VAL . 4.5 t80 -50.73 -44.3 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.865 HD11 ' HB ' ' A' ' 103' ' ' ILE . 2.0 mt -65.63 -45.46 82.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 89' ' ' ASP . 0.1 OUTLIER -48.61 -53.94 16.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.72 HD22 ' HD3' ' A' ' 98' ' ' LYS . 0.4 OUTLIER -58.42 -43.22 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.745 ' O ' ' CB ' ' A' ' 99' ' ' PHE . 13.8 t -62.97 -43.3 98.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.905 ' O ' ' HA2' ' A' ' 100' ' ' GLY . 5.0 t -73.09 -30.83 63.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 93' ' ' LYS . 0.7 OUTLIER -78.9 -50.57 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.72 ' HD3' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -86.19 -58.36 2.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.745 ' CB ' ' O ' ' A' ' 95' ' ' VAL . 0.2 OUTLIER -72.53 -10.07 59.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.905 ' HA2' ' O ' ' A' ' 96' ' ' SER . . . 52.93 23.17 14.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' ' 2' ' ' ILE . 1.6 mp -121.66 143.66 49.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.91 149.59 42.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.865 ' HB ' HD11 ' A' ' 92' ' ' LEU . 60.3 mt -113.42 111.56 49.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.197 0 O-C-N 124.455 1.766 . . . . 0.0 110.979 -179.971 . . . . . . . . 0 0 . 1 stop_ save_