data_1co4_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 1co4 _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 core ' A' A ' 1' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.581 0.229 . . . . 1.0 110.945 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.5 t -132.73 150.6 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 93.5 t -140.99 140.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.6 mp -133.71 124.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 60.76 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 1.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.86 25.42 2.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 4.5 t -118.47 155.38 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 mttt -122.41 159.88 26.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 19.4 m-85 -159.09 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 173.16 166.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.1 p -67.96 156.47 37.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.593 1.183 . . . . 1.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.75 24.46 8.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.1 m -145.74 -60.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 108.257 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' A' ' 33' ' ' LEU . 1.2 tt -57.83 -25.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -19.56 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -96.78 -75.79 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 17' ' ' SER . 1.9 t-80 158.89 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.73 -19.17 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.469 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.67 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.19 -32.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.0 tt0 -156.0 39.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.2 t -52.49 144.24 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tt0 -154.18 23.07 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -78.66 164.8 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -108.79 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.278 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 2.1 t70 -50.19 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 ttp180 79.74 151.64 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 1.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.41 20.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 1.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tp -90.99 164.31 14.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.17 169.72 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.571 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.37 170.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.19 . . . . 1.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' CB ' HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.568 0.223 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.577 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 65.6 t -114.58 145.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 62.6 t -128.71 139.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.2 mt -117.33 99.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.24 -82.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 1.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.85 2.26 6.88 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.485 1.116 . . . . 1.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.523 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 10.4 t -91.99 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.59 129.86 49.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 1.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -149.3 144.46 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -155.4 167.76 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' N ' HD13 ' A' ' 30' ' ' LEU . 4.0 p -56.47 159.18 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -11.39 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.92 26.05 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.5 m -150.41 -52.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 1.0 108.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 tt -59.68 -24.76 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -102.04 -79.18 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.0 109.993 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.78 -24.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.566 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 21' ' ' ALA . 19.0 mttt -51.99 -20.31 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.511 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.83 -26.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.16 -32.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.64 43.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -52.63 146.8 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 1.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 20.28 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -87.89 159.93 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 109.623 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.17 -61.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.65 178.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.28 150.79 0.13 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 145.27 31.33 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.47 1.774 . . . . 1.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.9 tp -93.54 149.13 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 156.43 43.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -131.66 168.52 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 1.3 tp . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.464 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 9.3 t -95.0 142.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 61.4 t -129.83 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.517 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 23.4 mt -122.03 110.2 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 60.84 -88.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.595 1.184 . . . . 1.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.17 23.11 4.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 1.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 10.9 t -109.99 138.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -121.34 110.74 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 3.5 p90 -137.33 142.05 41.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -144.62 165.64 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -55.63 159.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 108.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -11.67 60.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 24.73 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 110.066 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 8.9 m -145.5 -55.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 tt -58.8 -25.02 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -18.84 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 1.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 41.2 t -100.79 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 1.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 158.54 -24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' N ' ' A' ' 21' ' ' ALA . 4.8 tttt -52.71 -19.06 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.499 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.15 -28.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.44 -35.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.8 tp-100 -155.45 41.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.259 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 24' ' ' GLU . 1.7 t -42.19 152.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 1.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 tt0 -158.25 25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -90.2 -177.66 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -128.49 -65.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 1.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -50.44 179.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.08 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.32 22.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.549 1.815 . . . . 1.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.41 122.49 31.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.89 149.31 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.428 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -119.79 161.02 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.395 0.141 . . . . 1.0 111.1 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.64 157.18 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 97.6 t -142.03 141.16 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.415 ' N ' HG11 ' A' ' 3' ' ' VAL . 3.5 mp -135.95 124.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 1.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.61 -88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.48 25.45 2.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' CG1' ' CZ ' ' A' ' 9' ' ' TYR . 4.8 t -117.85 154.05 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 1.2 tttp -128.4 150.42 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 2.6 m-85 -148.5 171.16 16.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.05 166.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.236 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 14.8 p -68.12 156.34 37.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 1.0 108.358 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -13.18 62.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 23.26 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.066 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 11.9 m -142.28 -58.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 1.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.19 -25.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 -19.59 19.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.552 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.5 m -95.58 -75.28 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 159.48 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -52.48 -20.61 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -40.27 -35.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.45 -49.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.74 36.84 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 1.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -50.35 151.61 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.0 108.275 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -166.57 30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -83.25 164.72 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 1.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -107.61 -74.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -51.82 179.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.28 151.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.359 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.54 20.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 1.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.92 159.02 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.378 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -138.68 164.5 29.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.556 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -114.16 168.37 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.1 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.171 . . . . 1.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.2 t -135.54 103.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 76.5 t -97.9 138.81 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.56 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.2 mp -136.79 124.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 61.2 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 1.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.8 23.44 3.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.561 1.163 . . . . 1.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 9' ' ' TYR . 3.3 t -117.42 157.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.04 126.86 34.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 1.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.56 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 18.7 m-30 -117.79 178.6 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 172.26 166.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 1.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 9.3 p -75.25 157.14 34.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 1.0 108.258 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -11.44 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.419 ' OG ' ' NE ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -104.22 27.38 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 110.045 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 5.5 m -143.78 -50.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 108.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG1' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -59.26 -30.22 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -18.4 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.1 m -103.91 -80.0 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.3 m170 158.17 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -53.2 -17.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.505 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.34 -27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.95 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.7 pt20 -154.49 45.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 24' ' ' GLU . 1.7 t -47.25 152.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 1.0 108.38 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -170.52 32.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 1.0 110.233 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -85.7 -177.66 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 1.0 109.63 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -112.44 -74.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -50.76 179.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 1.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' NE ' ' OG ' ' A' ' 13' ' ' SER . 18.0 tpp180 70.56 135.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.31 36.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 tp -86.07 129.87 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 167.68 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.512 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.48 163.0 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 15' ' ' ILE . 3.3 tp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.296 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.43 0.157 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.38 156.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 1.0 109.233 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 97.6 t -141.56 141.3 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 1.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.516 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.2 mp -136.38 121.53 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.07 -90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.41 20.18 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 1.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.519 ' CG1' ' CZ ' ' A' ' 9' ' ' TYR . 3.7 t -113.71 153.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 23.1 ttpt -133.1 152.32 51.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 3.5 m-85 -149.51 169.56 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.79 166.86 4.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 13' ' ' SER . 1.6 p -76.47 161.43 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.86 -22.44 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 1.0 109.363 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.474 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.16 17.32 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 22.0 m -136.95 -48.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 1.0 108.373 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 33' ' ' LEU . 3.8 tp -61.95 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -48.83 -23.95 1.27 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 1.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -160.79 -75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CG ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -175.41 28.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 1.0 109.679 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -62.24 -13.44 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 1.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' CA ' ' HB3' ' A' ' 1' ' ' MET . . . -52.81 -25.78 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -39.03 -30.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.9 tt0 -156.07 43.86 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 1.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLN . 35.8 t -41.08 99.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -111.45 7.32 20.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 1.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' A' ' 13' ' ' SER . 18.3 m80 -70.8 -177.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -141.53 -47.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 1.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 45.0 p-10 -86.42 179.81 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 84.35 148.9 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 1.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 164.12 34.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 1.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -101.33 157.5 16.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 109.213 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 164.22 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.564 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.23 172.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' CYS . 4.4 ptm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.587 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 79.1 t -121.13 145.61 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 53.9 t -127.81 138.6 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.509 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.4 mt -117.04 100.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.95 -83.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 1.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.13 2.72 7.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 1.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 11.2 t -92.31 138.5 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 1.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.97 127.06 44.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.587 ' CE2' ' HB ' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -145.77 145.39 30.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 1.0 110.984 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -158.37 173.37 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 30' ' ' LEU . 11.7 p -56.75 157.36 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 1.0 108.319 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -11.98 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 23.64 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.8 m -146.29 -56.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 1.0 108.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -25.03 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -93.67 -19.46 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 71.4 m -98.07 -76.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 1.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 159.35 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.563 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 21' ' ' ALA . 5.8 mmtp -51.69 -20.87 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -39.7 -30.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.34 -48.23 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -137.38 39.19 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.067 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -57.3 146.26 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 25.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.3 160.86 27.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 109.584 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -105.97 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 63.5 m-20 -50.28 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.57 151.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 110.266 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.25 24.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.621 1.853 . . . . 1.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.1 tp -89.67 153.39 20.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.71 159.88 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.0 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 1.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 21' ' ' ALA . 14.4 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.546 0.213 . . . . 1.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.9 t -130.05 101.48 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 68.9 t -99.58 140.45 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.633 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.0 mp -136.9 121.09 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 1.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.72 -88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.94 19.45 3.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.6 t -113.94 156.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 0.776 . . . . 1.0 109.355 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -131.12 132.54 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.633 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 17.4 m-30 -123.98 177.41 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 174.07 166.36 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -79.45 160.51 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -23.74 18.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 1.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -84.55 9.62 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 21.9 m -128.75 -47.04 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 1.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 33' ' ' LEU . 1.6 tp -61.86 -24.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -24.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m -160.61 -74.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.8 m-70 -175.73 28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.64 -13.86 25.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -51.36 -27.44 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' CE ' ' A' ' 1' ' ' MET . . . -39.35 -30.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -155.62 44.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 1' ' ' MET . 37.0 t -41.4 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 108.259 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . 7.0 tt0 -115.76 12.19 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 13' ' ' SER . 23.3 m80 -73.18 175.2 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -136.47 -70.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 1.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 1.5 p30 -77.58 115.02 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.62 151.81 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.7 31.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.8 tp -93.91 125.25 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.1 166.29 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -113.85 162.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 1.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.498 ' N ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.477 0.18 . . . . 1.0 111.019 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.5 t -134.25 102.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 79.0 t -98.48 138.78 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 3.9 mp -135.13 123.15 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 4' ' ' ILE . 8.0 t30 61.95 -88.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 21.14 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.4 t -115.43 158.17 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 33' ' ' LEU . 10.9 mttp -131.93 129.92 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.661 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 18.9 m-30 -119.98 178.19 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 1.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' CB ' ' A' ' 20' ' ' ALA . . . 169.0 165.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 p -76.81 156.41 32.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 108.285 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.5 t0 -65.51 -21.13 66.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 1.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.465 ' CB ' ' NE ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -89.09 17.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.964 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.1 m -137.03 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CD1' HD22 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -53.78 -30.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.372 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.0 tptm -59.51 -42.28 91.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.42 1.67 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' CYS . 2.1 t-160 79.04 -1.07 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 21' ' ' ALA . 6.6 ttmm -56.93 -17.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CB ' ' CB ' ' A' ' 10' ' ' ALA . . . -45.38 -25.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -38.77 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.1 tp60 -151.37 51.96 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.498 ' H ' ' N ' ' A' ' 1' ' ' MET . 1.4 t -78.41 152.06 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 108.391 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.0 pt-20 -170.84 33.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -87.68 164.51 15.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 1.0 109.505 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' ARG . 5.8 t-20 -121.0 -57.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 8.9 p-10 -69.7 63.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -164.21 152.44 11.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.18 5.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 1.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.13 147.28 29.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.99 164.34 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -107.44 154.48 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.366 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 13.2 ptt? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.514 0.197 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.583 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 75.7 t -118.44 145.79 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 58.6 t -127.84 138.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.5 mt -117.0 99.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.11 -83.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.33 2.68 7.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 9.0 t -92.42 138.84 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 0.804 . . . . 1.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.82 128.67 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -148.07 149.61 32.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 111.075 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -162.05 166.87 25.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' HD13 ' A' ' 30' ' ' LEU . 5.8 p -54.49 158.7 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 1.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -12.13 60.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.24 24.88 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.953 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.518 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 34.5 m -147.64 -51.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.06 -25.07 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -18.84 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 13.2 t -101.52 -78.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.0 t-80 155.95 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 21' ' ' ALA . 8.2 mttm -52.62 -19.94 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -42.13 -28.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.54 -35.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.48 41.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.243 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -44.17 151.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 108.307 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -149.85 21.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 1.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -88.54 150.93 22.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.617 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.88 -35.12 8.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 1.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.05 179.15 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.93 150.72 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.99 29.91 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 11' ' ' CYS . 6.6 tp -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 1.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 158.86 15.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.59 161.37 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' ' CG1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.538 0.209 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.66 150.53 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 95.6 t -141.0 141.0 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.624 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.7 mp -134.2 119.95 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.84 17.7 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.424 1.078 . . . . 1.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 2.8 t -110.11 155.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 1.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.543 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 4.7 mtmm -122.16 160.28 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 25.3 m-85 -160.25 174.33 14.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 1.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 172.45 166.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 1.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 p -70.02 157.39 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.599 1.187 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.77 26.38 8.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 1.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.5 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.5 m -148.22 -56.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 1.0 108.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -24.93 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -19.07 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.6 t -99.1 -77.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.2 m170 159.22 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 109.629 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 21' ' ' ALA . 3.4 mptt -53.0 -19.67 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 1' ' ' MET . . . -43.81 -27.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 1.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.25 -32.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.2 pt20 -156.02 40.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.498 ' N ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -52.02 137.51 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 108.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.57 12.44 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -73.11 161.31 30.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 1.0 109.646 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.69 -72.11 0.73 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.419 1.074 . . . . 1.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.5 p30 -48.26 174.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mtp180 82.43 150.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.86 26.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 1.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.79 159.19 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.47 173.18 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -113.17 173.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.484 0.183 . . . . 1.0 111.07 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.55 155.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 98.2 t -142.49 141.09 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.503 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.0 mp -136.61 123.91 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.96 -89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 1.0 109.347 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.37 24.34 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.514 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 4.7 t -118.3 153.17 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.449 ' CB ' HG21 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -132.28 153.17 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 1.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.566 ' CD2' ' HB ' ' A' ' 32' ' ' ILE . 3.7 m-85 -149.83 169.19 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.168 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.93 167.01 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 1.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' N ' HD13 ' A' ' 30' ' ' LEU . 15.3 p -71.12 156.02 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -12.65 61.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.94 23.89 8.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.7 m -142.8 -59.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 108.374 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.94 -26.05 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -19.45 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -96.57 -76.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.2 p80 159.52 -25.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.562 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 21' ' ' ALA . 13.7 ttmm -52.96 -20.15 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' ALA . . . -39.74 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.02 -46.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 1.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -141.71 38.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -50.55 148.63 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -164.47 29.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.97 164.48 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -110.78 -45.71 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 1.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.91 179.78 2.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 151.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 1.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.34 24.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.789 . . . . 1.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.6 tp -88.58 156.45 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -138.4 163.34 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CD2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -112.87 164.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.498 ' SD ' ' CD ' ' A' ' 8' ' ' LYS . 5.2 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.506 0.194 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.57 100.61 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 1.0 109.368 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 74.2 t -98.86 140.32 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.1 mp -137.58 121.41 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 1.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.63 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.28 20.44 3.35 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 9' ' ' TYR . 2.9 t -115.01 157.16 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 1.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' CD ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -131.21 132.94 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 17.7 m-30 -125.31 177.81 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 30' ' ' LEU . . . 174.61 -173.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 p -99.21 157.87 16.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.0 108.311 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -11.87 55.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.85 27.75 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.501 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 4.0 m -145.28 -54.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 108.259 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG23 ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -57.97 -28.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -89.04 -18.74 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -99.97 -78.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER 158.56 -24.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 109.654 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.73 -20.13 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.374 1.046 . . . . 1.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -37.96 -33.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -34.61 -49.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -140.47 41.25 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 1.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.7 t -42.55 148.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.05 26.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -86.32 167.76 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 1.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -125.28 -71.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 1.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 28' ' ' ARG . 83.7 m-20 -57.18 90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 166.06 151.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 130.35 13.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 1.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 16.9 tp -90.68 130.11 36.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' CD ' HG23 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.66 167.39 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -116.03 168.53 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.369 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 1.7 tm? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.5 ' SD ' ' CB ' ' A' ' 20' ' ' ALA . 4.4 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.169 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 87.6 t -135.81 156.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 75.7 t -135.72 139.05 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.504 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 3.8 mt -122.02 100.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 64.52 -89.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.19 10.09 10.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 1.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 9.0 t -99.78 138.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.39 127.87 32.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -146.61 147.03 30.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.51 176.39 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 1.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' N ' HD13 ' A' ' 30' ' ' LEU . 12.1 p -65.73 157.49 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 1.0 108.269 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -11.7 61.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.486 ' OG ' ' CZ ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -100.38 24.88 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 1.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 22.9 m -146.53 -57.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 108.328 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tt -58.82 -25.16 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -91.66 -19.3 22.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 36.0 t -98.58 -77.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 1.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.1 t60 158.14 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 1.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -53.7 -19.5 4.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.5 ' CB ' ' SD ' ' A' ' 1' ' ' MET . . . -44.28 -26.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 1.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.63 -32.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.8 mm-40 -155.94 39.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 1.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -47.77 151.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 108.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -156.61 24.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -84.14 152.49 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.31 -38.3 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -80.1 -179.87 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 1.0 109.272 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.486 ' CZ ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 78.65 151.9 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 1.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 135.46 19.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.433 1.754 . . . . 1.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.2 tp -87.09 151.24 23.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.01 160.83 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.24 168.11 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.471 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 1.8 ppp? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.442 0.163 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.05 158.3 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 89.1 t -143.02 141.54 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.406 ' N ' HG11 ' A' ' 3' ' ' VAL . 3.4 mp -137.3 124.22 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 9.9 t30 60.65 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 5' ' ' ASN . . . -139.4 25.45 2.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 1.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.536 ' CG1' ' CZ ' ' A' ' 9' ' ' TYR . 5.0 t -117.79 153.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 1.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 12.5 mttm -128.51 150.17 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 1.8 m-85 -147.87 170.67 17.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . . . -177.85 167.57 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 1.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.421 ' N ' HD13 ' A' ' 30' ' ' LEU . 16.1 p -70.81 155.81 40.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 108.298 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.4 t0 -58.18 -21.41 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.77 22.3 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 5.0 m -139.9 -70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 1.0 108.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.435 ' HB ' ' CB ' ' A' ' 10' ' ' ALA . 2.7 tt -58.96 -24.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 1.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -93.74 -20.14 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 84.0 p -102.51 -77.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 110.084 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.1 p80 159.65 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 1.0 109.64 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.97 -19.71 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . . . -38.23 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.25 -49.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -136.77 45.19 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 1.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 3.5 t -41.42 149.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 27.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.79 162.7 14.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 -67.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 5.9 m-20 -76.19 114.77 15.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.84 151.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.93 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 1.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.6 tp -89.68 156.55 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.27 162.13 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -111.19 164.77 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.581 0.229 . . . . 1.0 110.945 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.5 t -132.73 150.6 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 93.5 t -140.99 140.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.562 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.6 mp -133.71 124.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 60.76 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 1.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.86 25.42 2.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 4.5 t -118.47 155.38 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 mttt -122.41 159.88 26.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 19.4 m-85 -159.09 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 173.16 166.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.1 p -67.96 156.47 37.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.593 1.183 . . . . 1.0 108.278 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.75 24.46 8.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.1 m -145.74 -60.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 108.257 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' A' ' 33' ' ' LEU . 1.2 tt -57.83 -25.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -19.56 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -96.78 -75.79 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 17' ' ' SER . 1.9 t-80 158.89 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.73 -19.17 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.469 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.67 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.19 -32.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.0 tt0 -156.0 39.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.433 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.2 t -52.49 144.24 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tt0 -154.18 23.07 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -78.66 164.8 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -108.79 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.278 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 2.1 t70 -50.19 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.5 ttp180 79.74 151.64 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 1.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.41 20.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 1.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 tp -90.99 164.31 14.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.17 169.72 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.571 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.37 170.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.19 . . . . 1.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' CB ' HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -176.45 165.99 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -142.06 173.77 4.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 109.349 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 82.25 2.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.468 1.773 . . . . 1.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.88 158.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 1.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -152.17 -73.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER 86.32 150.74 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 1.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 160.45 40.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.77 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -23.7 13.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.822 . . . . 1.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.7 m -124.43 -80.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 1.0 110.372 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 110.351 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.568 0.223 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.577 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 65.6 t -114.58 145.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.523 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 62.6 t -128.71 139.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.2 mt -117.33 99.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.24 -82.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 1.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.85 2.26 6.88 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.485 1.116 . . . . 1.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.523 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 10.4 t -91.99 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.59 129.86 49.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 1.0 109.225 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -149.3 144.46 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' HB1' ' A' ' 20' ' ' ALA . . . -155.4 167.76 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' N ' HD13 ' A' ' 30' ' ' LEU . 4.0 p -56.47 159.18 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -11.39 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.92 26.05 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.5 m -150.41 -52.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 1.0 108.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 tt -59.68 -24.76 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -102.04 -79.18 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.0 109.993 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.78 -24.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.566 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 21' ' ' ALA . 19.0 mttt -51.99 -20.31 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.511 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.83 -26.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.16 -32.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.64 43.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -52.63 146.8 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 1.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 20.28 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -87.89 159.93 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 109.623 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.17 -61.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.65 178.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.28 150.79 0.13 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 145.27 31.33 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.47 1.774 . . . . 1.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.9 tp -93.54 149.13 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 156.43 43.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -131.66 168.52 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 1.3 tp 174.73 174.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -139.99 158.47 67.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 1.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 61.9 133.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.08 -129.82 6.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.58 1.175 . . . . 1.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 69.76 68.93 0.4 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.823 . . . . 1.0 110.245 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 156.7 42.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 -82.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.529 1.805 . . . . 1.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 0.9 OUTLIER 169.53 -42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 1.0 110.473 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 42' ' ' THR . 10.8 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.4 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HB3' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 9' ' ' TYR . 9.3 t -95.0 142.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 61.4 t -129.83 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.517 HD11 ' CZ ' ' A' ' 9' ' ' TYR . 23.4 mt -122.03 110.2 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 60.84 -88.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.595 1.184 . . . . 1.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.17 23.11 4.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 1.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 10.9 t -109.99 138.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -121.34 110.74 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.318 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 2' ' ' VAL . 3.5 p90 -137.33 142.05 41.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -144.62 165.64 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.7 p -55.63 159.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 108.312 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -11.67 60.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 24.73 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 110.066 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 8.9 m -145.5 -55.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 tt -58.8 -25.02 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.301 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -18.84 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 1.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 41.2 t -100.79 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 1.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 158.54 -24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' N ' ' A' ' 21' ' ' ALA . 4.8 tttt -52.71 -19.06 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.499 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.15 -28.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.44 -35.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.8 tp-100 -155.45 41.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.259 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 24' ' ' GLU . 1.7 t -42.19 152.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 1.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 tt0 -158.25 25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -90.2 -177.66 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -128.49 -65.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 1.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -50.44 179.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.08 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.32 22.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.549 1.815 . . . . 1.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -87.41 122.49 31.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 1.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.89 149.31 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.428 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -119.79 161.02 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.85 -179.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 161.82 61.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -140.6 82.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 1.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 -33.13 1.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 1.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 3.6 mtp180 -64.86 -53.19 44.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 1.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.5 Cg_endo -75.03 155.54 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.418 1.746 . . . . 1.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 1.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 42' ' ' THR . 81.2 p -42.51 -92.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 110.378 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 41' ' ' THR . 2.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.395 0.141 . . . . 1.0 111.1 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.64 157.18 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 97.6 t -142.03 141.16 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.415 ' N ' HG11 ' A' ' 3' ' ' VAL . 3.5 mp -135.95 124.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 1.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.61 -88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.48 25.45 2.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' CG1' ' CZ ' ' A' ' 9' ' ' TYR . 4.8 t -117.85 154.05 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.583 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 1.2 tttp -128.4 150.42 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 2.6 m-85 -148.5 171.16 16.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.05 166.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.236 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -68.12 156.34 37.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 1.0 108.358 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -13.18 62.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 23.26 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.066 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 11.9 m -142.28 -58.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 1.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.19 -25.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 -19.59 19.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.552 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.5 m -95.58 -75.28 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 159.48 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -52.48 -20.61 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -40.27 -35.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.45 -49.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.74 36.84 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 1.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -50.35 151.61 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.0 108.275 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -166.57 30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -83.25 164.72 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 1.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -107.61 -74.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -51.82 179.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.28 151.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.359 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.54 20.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 1.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.0 tp -90.92 159.02 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.378 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -138.68 164.5 29.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.556 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -114.16 168.37 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 172.34 176.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.36 89.64 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.35 7.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 1.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.2 5.18 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -40.76 -41.44 2.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.543 1.152 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 66.97 149.18 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 1.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.58 42.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -165.28 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 1.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -162.33 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.425 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.4 ' N ' ' OG1' ' A' ' 41' ' ' THR . 77.2 p . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 1.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.1 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.171 . . . . 1.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 91.2 t -135.54 103.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 76.5 t -97.9 138.81 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.56 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.2 mp -136.79 124.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 61.2 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 1.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.8 23.44 3.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.561 1.163 . . . . 1.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 9' ' ' TYR . 3.3 t -117.42 157.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.04 126.86 34.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 1.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.56 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 18.7 m-30 -117.79 178.6 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 172.26 166.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 1.0 109.253 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 9.3 p -75.25 157.14 34.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 1.0 108.258 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -11.44 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' OG ' ' NE ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -104.22 27.38 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 110.045 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 5.5 m -143.78 -50.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 108.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG1' HD21 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -59.26 -30.22 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -18.4 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.1 m -103.91 -80.0 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.3 m170 158.17 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -53.2 -17.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.505 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.34 -27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.95 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.7 pt20 -154.49 45.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.455 ' SG ' ' N ' ' A' ' 24' ' ' GLU . 1.7 t -47.25 152.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 1.0 108.38 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -170.52 32.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 1.0 110.233 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -85.7 -177.66 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 1.0 109.63 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -112.44 -74.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -50.76 179.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 1.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' NE ' ' OG ' ' A' ' 13' ' ' SER . 18.0 tpp180 70.56 135.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 149.31 36.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 1.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 14.9 tp -86.07 129.87 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 167.68 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.512 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -107.48 163.0 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 15' ' ' ILE . 3.3 tp -150.17 134.22 17.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.1 -56.6 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.04 56.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 35' ' ' PRO . 12.1 ptm180 44.25 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 1.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 -157.47 18.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 1.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 95.04 49.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 1.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.28 43.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.42 1.747 . . . . 1.0 110.997 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.56 35.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 1.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.4 p -52.8 107.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 1.0 110.374 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.43 0.157 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.38 156.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 1.0 109.233 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 97.6 t -141.56 141.3 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 1.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.516 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.2 mp -136.38 121.53 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.07 -90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.41 20.18 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 1.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 ' CG1' ' CZ ' ' A' ' 9' ' ' TYR . 3.7 t -113.71 153.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 23.1 ttpt -133.1 152.32 51.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.564 ' CE2' ' HB ' ' A' ' 32' ' ' ILE . 3.5 m-85 -149.51 169.56 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.79 166.86 4.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 13' ' ' SER . 1.6 p -76.47 161.43 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -54.86 -22.44 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 1.0 109.363 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.474 ' O ' ' CE1' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.16 17.32 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 22.0 m -136.95 -48.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 1.0 108.373 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CD1' HD11 ' A' ' 33' ' ' LEU . 3.8 tp -61.95 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -48.83 -23.95 1.27 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 1.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -160.79 -75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CG ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -175.41 28.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 1.0 109.679 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -62.24 -13.44 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 1.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' CA ' ' HB3' ' A' ' 1' ' ' MET . . . -52.81 -25.78 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -39.03 -30.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.9 tt0 -156.07 43.86 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 1.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLN . 35.8 t -41.08 99.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -111.45 7.32 20.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 1.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.474 ' CE1' ' O ' ' A' ' 13' ' ' SER . 18.3 m80 -70.8 -177.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -141.53 -47.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 1.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 45.0 p-10 -86.42 179.81 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 84.35 148.9 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 1.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 164.12 34.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 1.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -101.33 157.5 16.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 109.213 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 164.22 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.564 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.23 172.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 170.99 174.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -177.78 88.95 0.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.388 1.731 . . . . 1.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -9.77 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.373 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 111.77 -16.47 25.94 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.509 1.13 . . . . 1.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.1 mtm180 162.87 -52.31 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 0.762 . . . . 1.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -74.96 156.78 43.19 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.448 1.762 . . . . 1.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 42' ' ' THR . 5.2 t -173.99 37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 1.0 110.446 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' CYS . 4.4 ptm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.587 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 79.1 t -121.13 145.61 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 53.9 t -127.81 138.6 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.509 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.4 mt -117.04 100.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.95 -83.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 1.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.13 2.72 7.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 1.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.528 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 11.2 t -92.31 138.5 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 1.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.97 127.06 44.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.222 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.587 ' CE2' ' HB ' ' A' ' 2' ' ' VAL . 0.8 OUTLIER -145.77 145.39 30.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 1.0 110.984 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -158.37 173.37 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 30' ' ' LEU . 11.7 p -56.75 157.36 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 1.0 108.319 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -11.98 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 23.64 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.8 m -146.29 -56.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 1.0 108.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -25.03 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -93.67 -19.46 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 71.4 m -98.07 -76.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 1.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 159.35 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.563 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 21' ' ' ALA . 5.8 mmtp -51.69 -20.87 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -39.7 -30.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.34 -48.23 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -137.38 39.19 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.067 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -57.3 146.26 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 25.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.3 160.86 27.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 109.584 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -105.97 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 63.5 m-20 -50.28 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.57 151.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 110.266 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.25 24.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.621 1.853 . . . . 1.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.1 tp -89.67 153.39 20.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.71 159.88 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 1.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.0 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 1.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 172.33 179.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -161.78 85.36 1.65 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -27.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.599 1.842 . . . . 1.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.75 125.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 1.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.94 103.18 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 1.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 64.66 70.86 0.6 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.43 0.723 . . . . 1.0 110.318 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.17 43.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 1.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.79 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 1.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m 46.48 -101.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.359 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 21' ' ' ALA . 14.4 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.546 0.213 . . . . 1.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.9 t -130.05 101.48 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 68.9 t -99.58 140.45 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.633 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.0 mp -136.9 121.09 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 1.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.72 -88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.94 19.45 3.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.6 t -113.94 156.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 0.776 . . . . 1.0 109.355 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -131.12 132.54 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.633 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 17.4 m-30 -123.98 177.41 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 174.07 166.36 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -79.45 160.51 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -23.74 18.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 1.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -84.55 9.62 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.502 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 21.9 m -128.75 -47.04 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 1.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 33' ' ' LEU . 1.6 tp -61.86 -24.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -24.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m -160.61 -74.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.8 m-70 -175.73 28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.64 -13.86 25.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 1' ' ' MET . . . -51.36 -27.44 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HA ' ' CE ' ' A' ' 1' ' ' MET . . . -39.35 -30.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -155.62 44.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 1' ' ' MET . 37.0 t -41.4 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 108.259 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . 7.0 tt0 -115.76 12.19 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 13' ' ' SER . 23.3 m80 -73.18 175.2 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -136.47 -70.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 1.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 1.5 p30 -77.58 115.02 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.62 151.81 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.7 31.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.8 tp -93.91 125.25 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.1 166.29 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.5 OUTLIER -113.85 162.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -155.87 137.24 13.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 1.0 109.231 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 166.14 14.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.66 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 1.0 111.022 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 67.51 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.24 94.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -73.25 -53.01 5.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -74.98 164.47 33.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 1.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.779 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -48.0 157.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 110.438 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.404 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' N ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.477 0.18 . . . . 1.0 111.019 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.5 t -134.25 102.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.533 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 79.0 t -98.48 138.78 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.661 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 3.9 mp -135.13 123.15 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 4' ' ' ILE . 8.0 t30 61.95 -88.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 21.14 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.4 t -115.43 158.17 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 33' ' ' LEU . 10.9 mttp -131.93 129.92 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.661 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 18.9 m-30 -119.98 178.19 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 1.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' CB ' ' A' ' 20' ' ' ALA . . . 169.0 165.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 p -76.81 156.41 32.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 108.285 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.5 t0 -65.51 -21.13 66.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 1.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.465 ' CB ' ' NE ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -89.09 17.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.964 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.1 m -137.03 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CD1' HD22 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -53.78 -30.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.372 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.0 tptm -59.51 -42.28 91.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.42 1.67 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' CYS . 2.1 t-160 79.04 -1.07 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 21' ' ' ALA . 6.6 ttmm -56.93 -17.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CB ' ' CB ' ' A' ' 10' ' ' ALA . . . -45.38 -25.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -38.77 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.1 tp60 -151.37 51.96 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.498 ' H ' ' N ' ' A' ' 1' ' ' MET . 1.4 t -78.41 152.06 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 108.391 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.0 pt-20 -170.84 33.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -87.68 164.51 15.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 1.0 109.505 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' ARG . 5.8 t-20 -121.0 -57.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 8.9 p-10 -69.7 63.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -164.21 152.44 11.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.18 5.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 1.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.13 147.28 29.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.99 164.34 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -107.44 154.48 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.366 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 15' ' ' ILE . 0.5 OUTLIER -152.91 145.85 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -137.94 154.8 74.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 1.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -3.07 13.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -150.33 176.72 10.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.25 135.57 1.47 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 1.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.07 79.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.52 42.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 1.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.91 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 1.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -120.72 0.38 10.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 1.0 110.364 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 13.2 ptt? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.514 0.197 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.583 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 75.7 t -118.44 145.79 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 58.6 t -127.84 138.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.5 mt -117.0 99.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.11 -83.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' HA3' ' CA ' ' A' ' 37' ' ' GLY . . . -127.33 2.68 7.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 9.0 t -92.42 138.84 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 0.804 . . . . 1.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.82 128.67 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -148.07 149.61 32.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 111.075 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -162.05 166.87 25.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.451 ' N ' HD13 ' A' ' 30' ' ' LEU . 5.8 p -54.49 158.7 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 1.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -12.13 60.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.24 24.88 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.953 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.518 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 34.5 m -147.64 -51.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.06 -25.07 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -18.84 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 13.2 t -101.52 -78.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.0 t-80 155.95 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 21' ' ' ALA . 8.2 mttm -52.62 -19.94 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -42.13 -28.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.54 -35.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.48 41.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.243 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -44.17 151.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 108.307 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -149.85 21.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 1.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -88.54 150.93 22.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.617 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.88 -35.12 8.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 1.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.05 179.15 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.93 150.72 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.99 29.91 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' N ' ' A' ' 11' ' ' CYS . 6.6 tp -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 1.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 158.86 15.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.59 161.37 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' N ' ' CG1' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -172.6 162.34 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 tptt 77.09 71.75 0.2 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 1.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' ARG . 19.8 mmt85 39.46 58.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 37.82 -96.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.146 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 ttp180 158.26 -49.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -75.06 157.63 42.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 1.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.469 1.773 . . . . 1.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.9 p -132.24 -46.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 110.44 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' CG ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.538 0.209 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.66 150.53 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 95.6 t -141.0 141.0 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.624 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.7 mp -134.2 119.95 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.84 17.7 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.424 1.078 . . . . 1.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 2.8 t -110.11 155.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 1.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.543 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 4.7 mtmm -122.16 160.28 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 25.3 m-85 -160.25 174.33 14.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 1.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 172.45 166.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 1.0 109.249 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.7 p -70.02 157.39 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.599 1.187 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.77 26.38 8.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 1.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.5 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.5 m -148.22 -56.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 1.0 108.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.9 -24.93 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -19.07 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.6 t -99.1 -77.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.2 m170 159.22 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 109.629 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 21' ' ' ALA . 3.4 mptt -53.0 -19.67 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.502 ' O ' ' CG ' ' A' ' 1' ' ' MET . . . -43.81 -27.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 1.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.25 -32.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.2 pt20 -156.02 40.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.498 ' N ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -52.02 137.51 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 108.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.57 12.44 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -73.11 161.31 30.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 1.0 109.646 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.69 -72.11 0.73 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.419 1.074 . . . . 1.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.5 p30 -48.26 174.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mtp180 82.43 150.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.86 26.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 1.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.2 tp -94.79 159.19 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.47 173.18 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -113.17 173.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -176.66 163.55 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.46 166.86 21.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 1.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 18.2 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.576 1.829 . . . . 1.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 179.09 -179.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.76 57.21 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 1.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 60.36 156.54 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 1.0 110.266 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.52 14.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 1.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.1 -34.87 3.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 1.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 81.98 162.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 110.409 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.404 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.484 0.183 . . . . 1.0 111.07 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.55 155.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 98.2 t -142.49 141.09 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.503 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.0 mp -136.61 123.91 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.96 -89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 1.0 109.347 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.37 24.34 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.514 HG13 ' CZ ' ' A' ' 9' ' ' TYR . 4.7 t -118.3 153.17 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.449 ' CB ' HG21 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -132.28 153.17 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 1.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.566 ' CD2' ' HB ' ' A' ' 32' ' ' ILE . 3.7 m-85 -149.83 169.19 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.168 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.93 167.01 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 1.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' N ' HD13 ' A' ' 30' ' ' LEU . 15.3 p -71.12 156.02 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -12.65 61.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.94 23.89 8.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 109.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.7 m -142.8 -59.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 108.374 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.94 -26.05 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -19.45 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -96.57 -76.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.2 p80 159.52 -25.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.562 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 21' ' ' ALA . 13.7 ttmm -52.96 -20.15 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' ALA . . . -39.74 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.02 -46.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 1.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -141.71 38.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -50.55 148.63 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -164.47 29.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.97 164.48 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -110.78 -45.71 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 1.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.91 179.78 2.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.99 151.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 1.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.34 24.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.789 . . . . 1.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.6 tp -88.58 156.45 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 1.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -138.4 163.34 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CD2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -112.87 164.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 mt 176.92 177.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 158.89 34.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.03 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 1.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER 82.98 -7.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 1.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -72.53 -161.11 5.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER 158.31 -49.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 1.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.5 Cg_endo -74.96 155.41 43.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 1.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.05 -80.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 1.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 2.9 m 78.83 -61.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 110.499 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' SD ' ' CD ' ' A' ' 8' ' ' LYS . 5.2 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.506 0.194 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 50.1 t -120.57 100.61 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 1.0 109.368 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 74.2 t -98.86 140.32 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.609 ' CD1' ' CE2' ' A' ' 9' ' ' TYR . 4.1 mp -137.58 121.41 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 1.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.63 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.28 20.44 3.35 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 9' ' ' TYR . 2.9 t -115.01 157.16 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 1.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' CD ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -131.21 132.94 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.609 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 17.7 m-30 -125.31 177.81 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 30' ' ' LEU . . . 174.61 -173.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 p -99.21 157.87 16.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.0 108.311 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -11.87 55.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.85 27.75 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.501 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 4.0 m -145.28 -54.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 108.259 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG23 ' CD ' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -57.97 -28.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' N ' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -89.04 -18.74 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.343 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -99.97 -78.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER 158.56 -24.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 109.654 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.73 -20.13 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.374 1.046 . . . . 1.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -37.96 -33.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -34.61 -49.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -140.47 41.25 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 1.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.7 t -42.55 148.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.05 26.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -86.32 167.76 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 1.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -125.28 -71.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 1.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 28' ' ' ARG . 83.7 m-20 -57.18 90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 166.06 151.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 130.35 13.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 1.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 10' ' ' ALA . 16.9 tp -90.68 130.11 36.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' CD ' HG23 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.66 167.39 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -116.03 168.53 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.369 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 1.7 tm? -166.74 150.83 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 11.2 ptmt -138.37 154.85 74.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.15 40.4 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.733 . . . . 1.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -137.78 -155.34 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 1.0 110.343 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.58 13.78 82.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 1.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.44 -52.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 1.0 110.358 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.2 Cg_endo -75.02 155.03 42.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 1.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -44.64 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.828 . . . . 1.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.6 m 58.89 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 1.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 1.0 110.405 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.5 ' SD ' ' CB ' ' A' ' 20' ' ' ALA . 4.4 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.169 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 87.6 t -135.81 156.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 75.7 t -135.72 139.05 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.504 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 3.8 mt -122.02 100.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 64.52 -89.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' O ' ' CD ' ' A' ' 34' ' ' LYS . . . -120.19 10.09 10.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 1.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 9.0 t -99.78 138.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.39 127.87 32.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -146.61 147.03 30.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.51 176.39 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 1.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' N ' HD13 ' A' ' 30' ' ' LEU . 12.1 p -65.73 157.49 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 1.0 108.269 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -11.7 61.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.486 ' OG ' ' CZ ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -100.38 24.88 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 1.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.499 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 22.9 m -146.53 -57.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 108.328 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tt -58.82 -25.16 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -91.66 -19.3 22.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 36.0 t -98.58 -77.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 1.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.1 t60 158.14 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 1.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -53.7 -19.5 4.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.5 ' CB ' ' SD ' ' A' ' 1' ' ' MET . . . -44.28 -26.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 1.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.63 -32.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.8 mm-40 -155.94 39.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 1.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -47.77 151.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 108.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -156.61 24.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -84.14 152.49 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.31 -38.3 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -80.1 -179.87 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 1.0 109.272 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.486 ' CZ ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 78.65 151.9 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 1.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 135.46 19.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.433 1.754 . . . . 1.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.2 tp -87.09 151.24 23.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.01 160.83 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -132.24 168.11 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 175.58 175.85 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 6' ' ' GLY . 2.2 ttpm? -165.92 90.43 0.87 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 1.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 -76.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.18 -92.63 1.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.165 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 171.4 149.78 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 1.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.41 22.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 1.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.41 39.23 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.28 -58.57 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 110.355 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.471 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 1.8 ppp? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.442 0.163 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.05 158.3 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 89.1 t -143.02 141.54 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.406 ' N ' HG11 ' A' ' 3' ' ' VAL . 3.4 mp -137.3 124.22 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 9.9 t30 60.65 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 5' ' ' ASN . . . -139.4 25.45 2.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 1.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.536 ' CG1' ' CZ ' ' A' ' 9' ' ' TYR . 5.0 t -117.79 153.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 1.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 12.5 mttm -128.51 150.17 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 1.8 m-85 -147.87 170.67 17.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.435 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . . . -177.85 167.57 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 1.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.421 ' N ' HD13 ' A' ' 30' ' ' LEU . 16.1 p -70.81 155.81 40.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 108.298 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.4 t0 -58.18 -21.41 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.77 22.3 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 20' ' ' ALA . 5.0 m -139.9 -70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 1.0 108.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.435 ' HB ' ' CB ' ' A' ' 10' ' ' ALA . 2.7 tt -58.96 -24.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 1.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -93.74 -20.14 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 84.0 p -102.51 -77.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 110.084 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.1 p80 159.65 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 1.0 109.64 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.97 -19.71 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 14' ' ' CYS . . . -38.23 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.25 -49.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -136.77 45.19 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 1.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 3.5 t -41.42 149.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 27.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.79 162.7 14.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 -67.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 5.9 m-20 -76.19 114.77 15.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.84 151.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 130.93 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 1.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 11' ' ' CYS . 8.6 tp -89.68 156.55 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.27 162.13 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -111.19 164.77 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER 175.87 175.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 164.08 -52.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 18.2 Cg_endo -75.02 120.65 6.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.7 178.64 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.21 154.19 19.45 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.49 1.119 . . . . 1.0 111.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 66.44 67.55 0.67 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 1.0 110.27 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.76 42.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.462 1.769 . . . . 1.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -51.49 31.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 1.0 110.423 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.381 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.582 ' H1 ' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.581 0.229 . . . . 1.0 110.945 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.5 t -132.73 150.6 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 7' ' ' VAL . 93.5 t -140.99 140.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.649 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.6 mp -133.71 124.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 60.76 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 1.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.86 25.42 2.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.92 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.5 t -118.47 155.38 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 mttt -122.41 159.88 26.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 4' ' ' ILE . 19.4 m-85 -159.09 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 173.16 166.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.1 p -67.96 156.47 37.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.593 1.183 . . . . 1.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.75 24.46 8.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.1 m -145.74 -60.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 108.257 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.2 tt -57.83 -25.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -19.56 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -96.78 -75.79 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.89 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.73 -19.17 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.67 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.19 -32.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.0 tt0 -156.0 39.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 1.2 t -52.49 144.24 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tt0 -154.18 23.07 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -78.66 164.8 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -108.79 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.278 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 2.1 t70 -50.19 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 2.5 ttp180 79.74 151.64 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 1.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -74.98 136.41 20.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 1.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 7.8 tp -90.99 164.31 14.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.17 169.72 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.37 170.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.19 . . . . 1.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.814 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.568 0.223 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 ' OH ' ' A' ' 9' ' ' TYR . 65.6 t -114.58 145.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 62.6 t -128.71 139.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.2 mt -117.33 99.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.24 -82.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 1.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.85 2.26 6.88 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.485 1.116 . . . . 1.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.4 t -91.99 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.578 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.59 129.86 49.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 1.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.78 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -149.3 144.46 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -155.4 167.76 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' ILE . 4.0 p -56.47 159.18 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -11.39 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.92 26.05 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 32.5 m -150.41 -52.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 1.0 108.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -59.68 -24.76 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -102.04 -79.18 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.0 109.993 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.78 -24.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.566 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 21' ' ' ALA . 19.0 mttt -51.99 -20.31 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -43.83 -26.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.16 -32.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.64 43.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -52.63 146.8 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 1.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 20.28 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -87.89 159.93 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 109.623 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.17 -61.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.65 178.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.28 150.79 0.13 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 145.27 31.33 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.47 1.774 . . . . 1.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.9 tp -93.54 149.13 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 156.43 43.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -131.66 168.52 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 1.3 tp . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.915 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.603 HG12 ' OH ' ' A' ' 9' ' ' TYR . 9.3 t -95.0 142.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 61.4 t -129.83 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' OH ' ' A' ' 9' ' ' TYR . 23.4 mt -122.03 110.2 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 60.84 -88.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.595 1.184 . . . . 1.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.17 23.11 4.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 1.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.9 t -109.99 138.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HA ' HG22 ' A' ' 3' ' ' VAL . 7.2 ttmt -121.34 110.74 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' HG12 ' A' ' 2' ' ' VAL . 3.5 p90 -137.33 142.05 41.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.915 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -144.62 165.64 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.806 ' HA ' HD13 ' A' ' 30' ' ' LEU . 2.7 p -55.63 159.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 108.312 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -11.67 60.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 24.73 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 110.066 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 8.9 m -145.5 -55.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -58.8 -25.02 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -18.84 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 1.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 41.2 t -100.79 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 1.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 158.54 -24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' N ' ' A' ' 21' ' ' ALA . 4.8 tttt -52.71 -19.06 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.15 -28.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.44 -35.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.8 tp-100 -155.45 41.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.259 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.19 152.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 1.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 tt0 -158.25 25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -90.2 -177.66 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -128.49 -65.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 1.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -50.44 179.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.08 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.32 22.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.549 1.815 . . . . 1.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 11' ' ' CYS . 3.6 mm? -87.41 122.49 31.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 1.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.89 149.31 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -119.79 161.02 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.536 ' H1 ' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.395 0.141 . . . . 1.0 111.1 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.64 157.18 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -142.03 141.16 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.5 mp -135.95 124.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 1.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.61 -88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.48 25.45 2.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.924 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 t -117.85 154.05 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.628 ' CG ' HG22 ' A' ' 3' ' ' VAL . 1.2 tttp -128.4 150.42 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 2.6 m-85 -148.5 171.16 16.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.05 166.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.236 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.8 p -68.12 156.34 37.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 1.0 108.358 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -13.18 62.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 23.26 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.066 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 11.9 m -142.28 -58.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 1.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.19 -25.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 -19.59 19.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.552 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.5 m -95.58 -75.28 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 159.48 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -52.48 -20.61 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -40.27 -35.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.45 -49.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.74 36.84 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 1.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' CB ' ' H1 ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -50.35 151.61 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.0 108.275 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -166.57 30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -83.25 164.72 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 1.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -107.61 -74.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -51.82 179.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.28 151.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.359 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 136.54 20.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 1.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.0 tp -90.92 159.02 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -138.68 164.5 29.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -114.16 168.37 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.563 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 9.1 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.171 . . . . 1.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.897 HG12 HD11 ' A' ' 4' ' ' ILE . 91.2 t -135.54 103.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 7' ' ' VAL . 76.5 t -97.9 138.81 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.992 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.2 mp -136.79 124.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 61.2 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 1.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.8 23.44 3.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.561 1.163 . . . . 1.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.935 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.3 t -117.42 157.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -132.04 126.86 34.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 1.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.992 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.7 m-30 -117.79 178.6 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 172.26 166.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 1.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HG ' ' HB2' ' A' ' 14' ' ' CYS . 9.3 p -75.25 157.14 34.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 1.0 108.258 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -11.44 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -104.22 27.38 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 110.045 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.5 m -143.78 -50.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 108.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.847 HD12 ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -59.26 -30.22 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -18.4 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.1 m -103.91 -80.0 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.3 m170 158.17 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -53.2 -17.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -41.34 -27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.95 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.7 pt20 -154.49 45.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.7 t -47.25 152.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 1.0 108.38 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -170.52 32.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 1.0 110.233 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -85.7 -177.66 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 1.0 109.63 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -112.44 -74.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -50.76 179.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 1.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 18.0 tpp180 70.56 135.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -74.98 149.31 36.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.07 129.87 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 167.68 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -107.48 163.0 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.3 tp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.296 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.43 0.157 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.38 156.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 1.0 109.233 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -141.56 141.3 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 1.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.2 mp -136.38 121.53 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.07 -90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.41 20.18 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 1.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.7 t -113.71 153.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 23.1 ttpt -133.1 152.32 51.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.73 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.5 m-85 -149.51 169.56 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 14' ' ' CYS . . . -173.79 166.86 4.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 13' ' ' SER . 1.6 p -76.47 161.43 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 15' ' ' ILE . 4.1 t70 -54.86 -22.44 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 1.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.16 17.32 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' CB ' ' HB1' ' A' ' 10' ' ' ALA . 22.0 m -136.95 -48.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 1.0 108.373 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 33' ' ' LEU . 3.8 tp -61.95 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -48.83 -23.95 1.27 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 1.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -160.79 -75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CG ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -175.41 28.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 1.0 109.679 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -62.24 -13.44 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 1.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -52.81 -25.78 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -39.03 -30.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.9 tt0 -156.07 43.86 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 1.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLN . 35.8 t -41.08 99.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -111.45 7.32 20.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 1.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 18.3 m80 -70.8 -177.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -141.53 -47.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 1.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 45.0 p-10 -86.42 179.81 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 84.35 148.9 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 1.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 164.12 34.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 1.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD12 ' CA ' ' A' ' 11' ' ' CYS . 8.6 tp -101.33 157.5 16.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 109.213 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 164.22 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.23 172.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.859 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 4.4 ptm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.777 HG12 ' OH ' ' A' ' 9' ' ' TYR . 79.1 t -121.13 145.61 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 7' ' ' VAL . 53.9 t -127.81 138.6 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.509 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.4 mt -117.04 100.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.95 -83.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 1.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.13 2.72 7.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 1.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.931 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.2 t -92.31 138.5 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 1.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -126.97 127.06 44.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.777 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -145.77 145.39 30.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 1.0 110.984 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -158.37 173.37 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.7 p -56.75 157.36 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 1.0 108.319 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -11.98 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 23.64 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.8 m -146.29 -56.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 1.0 108.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -58.21 -25.03 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -93.67 -19.46 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 71.4 m -98.07 -76.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 1.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 159.35 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.563 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 21' ' ' ALA . 5.8 mmtp -51.69 -20.87 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -39.7 -30.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.34 -48.23 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -137.38 39.19 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.067 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -57.3 146.26 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 25.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.3 160.86 27.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 109.584 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -105.97 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 63.5 m-20 -50.28 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.57 151.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 110.266 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.97 139.25 24.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.621 1.853 . . . . 1.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.1 tp -89.67 153.39 20.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -135.71 159.88 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 1.0 109.251 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.0 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 1.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.842 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 14.4 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.546 0.213 . . . . 1.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 4' ' ' ILE . 82.9 t -130.05 101.48 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.943 HG13 ' O ' ' A' ' 7' ' ' VAL . 68.9 t -99.58 140.45 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 1.027 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.0 mp -136.9 121.09 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 1.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.72 -88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.94 19.45 3.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.943 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.6 t -113.94 156.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 0.776 . . . . 1.0 109.355 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.12 132.54 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 1.027 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.4 m-30 -123.98 177.41 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 9' ' ' TYR . . . 174.07 166.36 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -79.45 160.51 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -54.68 -23.74 18.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 1.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -84.55 9.62 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 21.9 m -128.75 -47.04 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 1.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.6 tp -61.86 -24.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -24.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m -160.61 -74.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.8 m-70 -175.73 28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.64 -13.86 25.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -51.36 -27.44 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -39.35 -30.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -155.62 44.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 1' ' ' MET . 37.0 t -41.4 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 108.259 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . 7.0 tt0 -115.76 12.19 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 13' ' ' SER . 23.3 m80 -73.18 175.2 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -136.47 -70.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 1.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 1.5 p30 -77.58 115.02 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.62 151.81 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.7 31.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 10' ' ' ALA . 15.8 tp -93.91 125.25 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.1 166.29 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -113.85 162.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.967 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 1.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.833 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.477 0.18 . . . . 1.0 111.019 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.739 HG12 HD11 ' A' ' 4' ' ' ILE . 87.5 t -134.25 102.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 7' ' ' VAL . 79.0 t -98.48 138.78 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.998 HD13 ' CE2' ' A' ' 9' ' ' TYR . 3.9 mp -135.13 123.15 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' ILE . 8.0 t30 61.95 -88.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 21.14 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.949 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.4 t -115.43 158.17 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' HA ' HG22 ' A' ' 3' ' ' VAL . 10.9 mttp -131.93 129.92 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.998 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.9 m-30 -119.98 178.19 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 1.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 169.0 165.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 p -76.81 156.41 32.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 108.285 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.5 t0 -65.51 -21.13 66.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 1.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -89.09 17.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.964 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.1 m -137.03 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.714 HD11 HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -53.78 -30.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.372 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.0 tptm -59.51 -42.28 91.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.42 1.67 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' CYS . 2.1 t-160 79.04 -1.07 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 21' ' ' ALA . 6.6 ttmm -56.93 -17.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' CB ' ' A' ' 10' ' ' ALA . . . -45.38 -25.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -38.77 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.1 tp60 -151.37 51.96 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.833 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.4 t -78.41 152.06 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 108.391 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.0 pt-20 -170.84 33.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -87.68 164.51 15.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 1.0 109.505 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' ARG . 5.8 t-20 -121.0 -57.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 8.9 p-10 -69.7 63.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -164.21 152.44 11.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.18 5.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 1.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.13 147.28 29.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.99 164.34 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -107.44 154.48 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.366 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 13.2 ptt? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.514 0.197 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.768 HG12 ' OH ' ' A' ' 9' ' ' TYR . 75.7 t -118.44 145.79 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 58.6 t -127.84 138.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.5 mt -117.0 99.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.11 -83.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.33 2.68 7.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -92.42 138.84 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 0.804 . . . . 1.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.82 128.67 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.768 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -148.07 149.61 32.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 111.075 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -162.05 166.87 25.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.49 158.7 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 1.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -12.13 60.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.24 24.88 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.953 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 34.5 m -147.64 -51.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.06 -25.07 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -18.84 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 13.2 t -101.52 -78.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 17' ' ' SER . 0.8 OUTLIER 155.95 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.637 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 21' ' ' ALA . 8.2 mttm -52.62 -19.94 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -42.13 -28.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.54 -35.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.48 41.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.243 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -44.17 151.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 108.307 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -149.85 21.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 1.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -88.54 150.93 22.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.617 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.88 -35.12 8.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 1.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.05 179.15 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.93 150.72 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.99 29.91 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 30' ' ' LEU . 6.6 tp -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 1.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 158.86 15.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.59 161.37 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HA ' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.619 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.538 0.209 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.66 150.53 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 7' ' ' VAL . 95.6 t -141.0 141.0 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.624 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.7 mp -134.2 119.95 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.84 17.7 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.424 1.078 . . . . 1.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.8 t -110.11 155.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 1.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 3' ' ' VAL . 4.7 mtmm -122.16 160.28 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 25.3 m-85 -160.25 174.33 14.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 1.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.618 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 172.45 166.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 1.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 15' ' ' ILE . 11.7 p -70.02 157.39 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.599 1.187 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.77 26.38 8.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 1.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.5 m -148.22 -56.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 1.0 108.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.9 -24.93 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -19.07 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.6 t -99.1 -77.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.2 m170 159.22 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 109.629 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 21' ' ' ALA . 3.4 mptt -53.0 -19.67 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.81 -27.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 1.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.25 -32.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.2 pt20 -156.02 40.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.619 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -52.02 137.51 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 108.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.57 12.44 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -73.11 161.31 30.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 1.0 109.646 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.69 -72.11 0.73 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.419 1.074 . . . . 1.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.5 p30 -48.26 174.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mtp180 82.43 150.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.86 26.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 1.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.2 tp -94.79 159.19 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.47 173.18 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.93 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -113.17 173.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.93 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.47 ' H3 ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.484 0.183 . . . . 1.0 111.07 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.55 155.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 7' ' ' VAL . 98.2 t -142.49 141.09 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.0 mp -136.61 123.91 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.96 -89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 1.0 109.347 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.37 24.34 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.889 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.7 t -118.3 153.17 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -132.28 153.17 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 1.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.755 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -149.83 169.19 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.168 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.93 167.01 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 1.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 15.3 p -71.12 156.02 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -12.65 61.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -98.94 23.89 8.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 109.992 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.7 m -142.8 -59.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 108.374 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.94 -26.05 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -19.45 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -96.57 -76.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.2 p80 159.52 -25.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.562 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 21' ' ' ALA . 13.7 ttmm -52.96 -20.15 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' ALA . . . -39.74 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.02 -46.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 1.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -141.71 38.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' C ' ' H3 ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -50.55 148.63 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -164.47 29.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -81.97 164.48 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -110.78 -45.71 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 1.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.91 179.78 2.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 69.99 151.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 1.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 139.34 24.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.789 . . . . 1.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.58 156.45 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 1.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -138.4 163.34 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -112.87 164.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.71 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 5.2 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.506 0.194 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 4' ' ' ILE . 50.1 t -120.57 100.61 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 1.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 7' ' ' VAL . 74.2 t -98.86 140.32 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 1.007 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.1 mp -137.58 121.41 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 1.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.63 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.28 20.44 3.35 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.925 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.9 t -115.01 157.16 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 1.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.778 ' HE3' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -131.21 132.94 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 1.007 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.7 m-30 -125.31 177.81 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 30' ' ' LEU . . . 174.61 -173.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 9.7 p -99.21 157.87 16.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.0 108.311 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -11.87 55.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.85 27.75 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 4.0 m -145.28 -54.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 108.259 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.887 HD13 ' HD2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -57.97 -28.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -18.74 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -99.97 -78.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER 158.56 -24.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 109.654 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.73 -20.13 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.374 1.046 . . . . 1.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -37.96 -33.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -34.61 -49.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -140.47 41.25 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 1.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.55 148.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.05 26.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -86.32 167.76 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 1.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -125.28 -71.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 1.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 28' ' ' ARG . 83.7 m-20 -57.18 90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 166.06 151.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 130.35 13.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 1.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 10' ' ' ALA . 16.9 tp -90.68 130.11 36.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HD2' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.66 167.39 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -116.03 168.53 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.369 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD12 ' HE3' ' A' ' 8' ' ' LYS . 1.7 tm? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.871 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.4 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.169 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 87.6 t -135.81 156.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 7' ' ' VAL . 75.7 t -135.72 139.05 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.632 HD12 ' OH ' ' A' ' 9' ' ' TYR . 3.8 mt -122.02 100.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 64.52 -89.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.19 10.09 10.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 1.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.927 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -99.78 138.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -134.39 127.87 32.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.632 ' OH ' HD12 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -146.61 147.03 30.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -161.51 176.39 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.73 157.49 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 1.0 108.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -11.7 61.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.486 ' OG ' ' CZ ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -100.38 24.88 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 1.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 22.9 m -146.53 -57.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 108.328 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tt -58.82 -25.16 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -91.66 -19.3 22.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 36.0 t -98.58 -77.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 1.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.1 t60 158.14 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 1.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -53.7 -19.5 4.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' SD ' ' A' ' 1' ' ' MET . . . -44.28 -26.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 1.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.63 -32.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.8 mm-40 -155.94 39.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 1.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -47.77 151.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 108.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -156.61 24.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -84.14 152.49 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -103.31 -38.3 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -80.1 -179.87 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 1.0 109.272 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.486 ' CZ ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 78.65 151.9 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 1.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -75.0 135.46 19.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.433 1.754 . . . . 1.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 30' ' ' LEU . 8.2 tp -87.09 151.24 23.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.01 160.83 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -132.24 168.11 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.786 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.471 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 1.8 ppp? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.442 0.163 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.05 158.3 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 7' ' ' VAL . 89.1 t -143.02 141.54 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.4 mp -137.3 124.22 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 9.9 t30 60.65 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 5' ' ' ASN . . . -139.4 25.45 2.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 1.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.897 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 t -117.79 153.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 1.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 12.5 mttm -128.51 150.17 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 1.8 m-85 -147.87 170.67 17.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.959 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -177.85 167.57 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 1.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HG ' ' HB2' ' A' ' 14' ' ' CYS . 16.1 p -70.81 155.81 40.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 108.298 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.4 t0 -58.18 -21.41 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.77 22.3 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.0 m -139.9 -70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 1.0 108.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 10' ' ' ALA . 2.7 tt -58.96 -24.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 1.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -93.74 -20.14 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 84.0 p -102.51 -77.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 110.084 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.8 OUTLIER 159.65 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 1.0 109.64 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.97 -19.71 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -38.23 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.25 -49.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -136.77 45.19 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 1.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 3.5 t -41.42 149.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 27.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.79 162.7 14.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -119.47 -67.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 5.9 m-20 -76.19 114.77 15.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.84 151.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 130.93 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 1.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.68 156.55 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 1.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.27 162.13 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -111.19 164.77 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.689 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.582 ' H1 ' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.581 0.229 . . . . 1.0 110.945 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.5 t -132.73 150.6 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 7' ' ' VAL . 93.5 t -140.99 140.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.649 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.6 mp -133.71 124.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 60.76 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 1.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.86 25.42 2.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.92 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.5 t -118.47 155.38 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 mttt -122.41 159.88 26.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 4' ' ' ILE . 19.4 m-85 -159.09 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 173.16 166.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.1 p -67.96 156.47 37.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.593 1.183 . . . . 1.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.75 24.46 8.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.1 m -145.74 -60.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 108.257 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.2 tt -57.83 -25.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -19.56 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -96.78 -75.79 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.89 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.602 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.73 -19.17 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.67 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.19 -32.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.0 tt0 -156.0 39.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 1.2 t -52.49 144.24 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tt0 -154.18 23.07 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -78.66 164.8 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -108.79 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.278 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 2.1 t70 -50.19 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 2.5 ttp180 79.74 151.64 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 1.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -74.98 136.41 20.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 1.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 7.8 tp -90.99 164.31 14.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.17 169.72 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.37 170.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.19 . . . . 1.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -176.45 165.99 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HG2' ' CD ' ' A' ' 35' ' ' PRO . 5.7 mtpt -142.06 173.77 4.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' CD ' ' HG2' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.04 82.25 2.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.468 1.773 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.88 158.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 1.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -152.17 -73.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER 86.32 150.74 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 1.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 160.45 40.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.77 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -23.7 13.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.822 . . . . 1.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' HG1' ' A' ' 42' ' ' THR . 86.7 m -124.43 -80.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 1.0 110.372 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.475 ' HG1' ' C ' ' A' ' 41' ' ' THR . 3.4 m . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 110.351 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.814 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.568 0.223 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 ' OH ' ' A' ' 9' ' ' TYR . 65.6 t -114.58 145.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 62.6 t -128.71 139.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.2 mt -117.33 99.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.24 -82.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 1.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.85 2.26 6.88 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.485 1.116 . . . . 1.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.4 t -91.99 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.578 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.59 129.86 49.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 1.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.78 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -149.3 144.46 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -155.4 167.76 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' ILE . 4.0 p -56.47 159.18 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -11.39 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.92 26.05 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 32.5 m -150.41 -52.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 1.0 108.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -59.68 -24.76 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -102.04 -79.18 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.0 109.993 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.78 -24.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.566 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 21' ' ' ALA . 19.0 mttt -51.99 -20.31 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -43.83 -26.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.16 -32.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.64 43.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -52.63 146.8 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 1.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 20.28 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -87.89 159.93 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 109.623 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.17 -61.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.65 178.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.28 150.79 0.13 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 145.27 31.33 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.47 1.774 . . . . 1.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.9 tp -93.54 149.13 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 156.43 43.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -131.66 168.52 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 1.3 tp 174.73 174.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -139.99 158.47 67.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 1.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 61.9 133.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.08 -129.82 6.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.58 1.175 . . . . 1.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 69.76 68.93 0.4 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.823 . . . . 1.0 110.245 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 156.7 42.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 -82.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.529 1.805 . . . . 1.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 0.9 OUTLIER 169.53 -42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 1.0 110.473 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 42' ' ' THR . 10.8 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.4 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.915 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.603 HG12 ' OH ' ' A' ' 9' ' ' TYR . 9.3 t -95.0 142.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 61.4 t -129.83 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' OH ' ' A' ' 9' ' ' TYR . 23.4 mt -122.03 110.2 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 60.84 -88.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.595 1.184 . . . . 1.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.17 23.11 4.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 1.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.9 t -109.99 138.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HA ' HG22 ' A' ' 3' ' ' VAL . 7.2 ttmt -121.34 110.74 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' HG12 ' A' ' 2' ' ' VAL . 3.5 p90 -137.33 142.05 41.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.915 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -144.62 165.64 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.806 ' HA ' HD13 ' A' ' 30' ' ' LEU . 2.7 p -55.63 159.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 108.312 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -11.67 60.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 24.73 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 110.066 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 8.9 m -145.5 -55.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -58.8 -25.02 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -18.84 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 1.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 41.2 t -100.79 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 1.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 158.54 -24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' N ' ' A' ' 21' ' ' ALA . 4.8 tttt -52.71 -19.06 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.15 -28.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.44 -35.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.8 tp-100 -155.45 41.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.259 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.19 152.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 1.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 tt0 -158.25 25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -90.2 -177.66 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -128.49 -65.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 1.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -50.44 179.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.08 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.32 22.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.549 1.815 . . . . 1.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 11' ' ' CYS . 3.6 mm? -87.41 122.49 31.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 1.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.89 149.31 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -119.79 161.02 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.85 -179.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 161.82 61.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -140.6 82.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 1.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 -33.13 1.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 1.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 3.6 mtp180 -64.86 -53.19 44.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 1.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.5 Cg_endo -75.03 155.54 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.418 1.746 . . . . 1.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 1.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 42' ' ' THR . 81.2 p -42.51 -92.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 110.378 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 41' ' ' THR . 2.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.536 ' H1 ' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.395 0.141 . . . . 1.0 111.1 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.64 157.18 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -142.03 141.16 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.5 mp -135.95 124.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 1.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.61 -88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.48 25.45 2.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.924 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 t -117.85 154.05 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.628 ' CG ' HG22 ' A' ' 3' ' ' VAL . 1.2 tttp -128.4 150.42 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 2.6 m-85 -148.5 171.16 16.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.05 166.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.236 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.8 p -68.12 156.34 37.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 1.0 108.358 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -13.18 62.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 23.26 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.066 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 11.9 m -142.28 -58.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 1.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.19 -25.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 -19.59 19.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.552 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.5 m -95.58 -75.28 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 159.48 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -52.48 -20.61 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -40.27 -35.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.45 -49.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.74 36.84 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 1.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' CB ' ' H1 ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -50.35 151.61 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.0 108.275 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -166.57 30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -83.25 164.72 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 1.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -107.61 -74.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -51.82 179.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.28 151.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.359 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 136.54 20.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 1.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.0 tp -90.92 159.02 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -138.68 164.5 29.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -114.16 168.37 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 172.34 176.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.36 89.64 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.35 7.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 1.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.2 5.18 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -40.76 -41.44 2.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.543 1.152 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 66.97 149.18 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 1.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.58 42.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -165.28 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 1.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.68 HG23 ' H ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -162.33 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.425 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' THR . 77.2 p . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 1.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.563 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 9.1 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.171 . . . . 1.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.897 HG12 HD11 ' A' ' 4' ' ' ILE . 91.2 t -135.54 103.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 7' ' ' VAL . 76.5 t -97.9 138.81 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.992 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.2 mp -136.79 124.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 61.2 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 1.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.8 23.44 3.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.561 1.163 . . . . 1.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.935 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.3 t -117.42 157.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -132.04 126.86 34.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 1.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.992 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.7 m-30 -117.79 178.6 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 172.26 166.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 1.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 p -75.25 157.14 34.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 1.0 108.258 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -11.44 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -104.22 27.38 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 110.045 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.5 m -143.78 -50.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 108.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.847 HD12 ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -59.26 -30.22 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -18.4 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.1 m -103.91 -80.0 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.3 m170 158.17 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -53.2 -17.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -41.34 -27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.95 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.7 pt20 -154.49 45.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.7 t -47.25 152.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 1.0 108.38 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -170.52 32.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 1.0 110.233 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -85.7 -177.66 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 1.0 109.63 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -112.44 -74.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -50.76 179.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 1.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 18.0 tpp180 70.56 135.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -74.98 149.31 36.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.07 129.87 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 167.68 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -107.48 163.0 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.3 tp -150.17 134.22 17.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.1 -56.6 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.04 56.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 35' ' ' PRO . 12.1 ptm180 44.25 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 1.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 -157.47 18.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 1.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 95.04 49.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 1.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 18.2 Cg_endo -74.98 155.28 43.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.42 1.747 . . . . 1.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 39' ' ' PRO . 18.1 Cg_endo -75.05 148.56 35.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 1.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.4 p -52.8 107.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 1.0 110.374 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.43 0.157 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.38 156.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 1.0 109.233 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -141.56 141.3 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 1.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.2 mp -136.38 121.53 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.07 -90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.41 20.18 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 1.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.7 t -113.71 153.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 23.1 ttpt -133.1 152.32 51.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.73 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.5 m-85 -149.51 169.56 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 14' ' ' CYS . . . -173.79 166.86 4.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 13' ' ' SER . 1.6 p -76.47 161.43 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 15' ' ' ILE . 4.1 t70 -54.86 -22.44 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 1.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.16 17.32 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' CB ' ' HB1' ' A' ' 10' ' ' ALA . 22.0 m -136.95 -48.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 1.0 108.373 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 33' ' ' LEU . 3.8 tp -61.95 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -48.83 -23.95 1.27 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 1.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -160.79 -75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CG ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -175.41 28.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 1.0 109.679 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -62.24 -13.44 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 1.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -52.81 -25.78 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -39.03 -30.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.9 tt0 -156.07 43.86 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 1.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLN . 35.8 t -41.08 99.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -111.45 7.32 20.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 1.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 18.3 m80 -70.8 -177.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -141.53 -47.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 1.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 45.0 p-10 -86.42 179.81 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 84.35 148.9 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 1.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 164.12 34.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 1.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD12 ' CA ' ' A' ' 11' ' ' CYS . 8.6 tp -101.33 157.5 16.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 109.213 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 164.22 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.23 172.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 170.99 174.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -177.78 88.95 0.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.388 1.731 . . . . 1.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -9.77 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.373 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 111.77 -16.47 25.94 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.509 1.13 . . . . 1.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.1 mtm180 162.87 -52.31 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 0.762 . . . . 1.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -74.96 156.78 43.19 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.448 1.762 . . . . 1.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 42' ' ' THR . 5.2 t -173.99 37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 1.0 110.446 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.859 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 4.4 ptm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.777 HG12 ' OH ' ' A' ' 9' ' ' TYR . 79.1 t -121.13 145.61 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 7' ' ' VAL . 53.9 t -127.81 138.6 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.509 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.4 mt -117.04 100.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.95 -83.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 1.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.13 2.72 7.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 1.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.931 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.2 t -92.31 138.5 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 1.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -126.97 127.06 44.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.777 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -145.77 145.39 30.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 1.0 110.984 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -158.37 173.37 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.7 p -56.75 157.36 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 1.0 108.319 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -11.98 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 23.64 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.8 m -146.29 -56.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 1.0 108.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -58.21 -25.03 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -93.67 -19.46 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 71.4 m -98.07 -76.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 1.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 159.35 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.563 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 21' ' ' ALA . 5.8 mmtp -51.69 -20.87 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -39.7 -30.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.34 -48.23 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -137.38 39.19 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.067 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -57.3 146.26 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 25.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.3 160.86 27.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 109.584 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -105.97 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 63.5 m-20 -50.28 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.57 151.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 110.266 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.97 139.25 24.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.621 1.853 . . . . 1.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.1 tp -89.67 153.39 20.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -135.71 159.88 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 1.0 109.251 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.0 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 1.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 172.33 179.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -161.78 85.36 1.65 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -27.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.599 1.842 . . . . 1.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.75 125.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 1.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.94 103.18 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 1.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 64.66 70.86 0.6 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.43 0.723 . . . . 1.0 110.318 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.17 43.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 1.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.79 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 1.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 HG22 ' A' ' 42' ' ' THR . 52.6 m 46.48 -101.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.481 HG22 HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.842 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 14.4 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.546 0.213 . . . . 1.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 4' ' ' ILE . 82.9 t -130.05 101.48 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.943 HG13 ' O ' ' A' ' 7' ' ' VAL . 68.9 t -99.58 140.45 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.027 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.0 mp -136.9 121.09 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 1.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.72 -88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.94 19.45 3.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.943 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.6 t -113.94 156.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 0.776 . . . . 1.0 109.355 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.12 132.54 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 1.027 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.4 m-30 -123.98 177.41 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 9' ' ' TYR . . . 174.07 166.36 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -79.45 160.51 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -54.68 -23.74 18.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 1.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -84.55 9.62 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 21.9 m -128.75 -47.04 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 1.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.6 tp -61.86 -24.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -24.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m -160.61 -74.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.8 m-70 -175.73 28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.64 -13.86 25.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -51.36 -27.44 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -39.35 -30.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -155.62 44.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 1' ' ' MET . 37.0 t -41.4 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 108.259 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . 7.0 tt0 -115.76 12.19 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 13' ' ' SER . 23.3 m80 -73.18 175.2 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -136.47 -70.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 1.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 1.5 p30 -77.58 115.02 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.62 151.81 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.7 31.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 10' ' ' ALA . 15.8 tp -93.91 125.25 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.1 166.29 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -113.85 162.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.967 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -155.87 137.24 13.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 1.0 109.231 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 166.14 14.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 18.4 Cg_endo -75.01 -38.66 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 1.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 67.51 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.24 94.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -73.25 -53.01 5.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -74.98 164.47 33.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 1.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.779 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 42' ' ' THR . 7.2 m -48.0 157.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.482 HG23 HG22 ' A' ' 41' ' ' THR . 18.0 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.833 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.477 0.18 . . . . 1.0 111.019 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.739 HG12 HD11 ' A' ' 4' ' ' ILE . 87.5 t -134.25 102.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 7' ' ' VAL . 79.0 t -98.48 138.78 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.998 HD13 ' CE2' ' A' ' 9' ' ' TYR . 3.9 mp -135.13 123.15 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' ILE . 8.0 t30 61.95 -88.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 21.14 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.949 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.4 t -115.43 158.17 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' HA ' HG22 ' A' ' 3' ' ' VAL . 10.9 mttp -131.93 129.92 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.998 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.9 m-30 -119.98 178.19 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 1.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 169.0 165.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 p -76.81 156.41 32.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 108.285 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.5 t0 -65.51 -21.13 66.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 1.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -89.09 17.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.964 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.1 m -137.03 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.714 HD11 HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -53.78 -30.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.372 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.0 tptm -59.51 -42.28 91.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.42 1.67 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' CYS . 2.1 t-160 79.04 -1.07 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 21' ' ' ALA . 6.6 ttmm -56.93 -17.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' CB ' ' A' ' 10' ' ' ALA . . . -45.38 -25.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -38.77 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.1 tp60 -151.37 51.96 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.833 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.4 t -78.41 152.06 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 108.391 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.0 pt-20 -170.84 33.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -87.68 164.51 15.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 1.0 109.505 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' ARG . 5.8 t-20 -121.0 -57.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 8.9 p-10 -69.7 63.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -164.21 152.44 11.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.18 5.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 1.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.13 147.28 29.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.99 164.34 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -107.44 154.48 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.366 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -152.91 145.85 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.879 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -137.94 154.8 74.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 1.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -3.07 13.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -150.33 176.72 10.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.25 135.57 1.47 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 1.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.07 79.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.52 42.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 1.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.91 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 1.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -120.72 0.38 10.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 1.0 110.364 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 13.2 ptt? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.514 0.197 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.768 HG12 ' OH ' ' A' ' 9' ' ' TYR . 75.7 t -118.44 145.79 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 58.6 t -127.84 138.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.5 mt -117.0 99.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.11 -83.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 37' ' ' GLY . . . -127.33 2.68 7.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -92.42 138.84 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 0.804 . . . . 1.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.82 128.67 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.768 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -148.07 149.61 32.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 111.075 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -162.05 166.87 25.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.49 158.7 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 1.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -12.13 60.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.24 24.88 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.953 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 34.5 m -147.64 -51.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.06 -25.07 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -18.84 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 13.2 t -101.52 -78.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 17' ' ' SER . 0.8 OUTLIER 155.95 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.637 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 21' ' ' ALA . 8.2 mttm -52.62 -19.94 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -42.13 -28.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.54 -35.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.48 41.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.243 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -44.17 151.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 108.307 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -149.85 21.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 1.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -88.54 150.93 22.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.617 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.88 -35.12 8.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 1.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.05 179.15 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.93 150.72 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.99 29.91 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 30' ' ' LEU . 6.6 tp -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 1.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 158.86 15.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.59 161.37 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD13 ' H ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -172.6 162.34 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.851 ' H ' HD13 ' A' ' 33' ' ' LEU . 1.4 tptt 77.09 71.75 0.2 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 1.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' ARG . 19.8 mmt85 39.46 58.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 37.82 -96.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.146 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 ttp180 158.26 -49.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -75.06 157.63 42.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 1.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.469 1.773 . . . . 1.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.9 p -132.24 -46.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 42' ' ' THR . 19.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 110.44 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.619 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.538 0.209 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.66 150.53 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 7' ' ' VAL . 95.6 t -141.0 141.0 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.624 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.7 mp -134.2 119.95 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.84 17.7 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.424 1.078 . . . . 1.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.8 t -110.11 155.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 1.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 3' ' ' VAL . 4.7 mtmm -122.16 160.28 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 25.3 m-85 -160.25 174.33 14.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 1.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.618 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 172.45 166.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 1.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 15' ' ' ILE . 11.7 p -70.02 157.39 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.599 1.187 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.77 26.38 8.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 1.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.5 m -148.22 -56.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 1.0 108.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.9 -24.93 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -19.07 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.6 t -99.1 -77.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.2 m170 159.22 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 109.629 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 21' ' ' ALA . 3.4 mptt -53.0 -19.67 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.81 -27.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 1.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.25 -32.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.2 pt20 -156.02 40.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.619 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -52.02 137.51 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 108.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.57 12.44 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -73.11 161.31 30.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 1.0 109.646 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.69 -72.11 0.73 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.419 1.074 . . . . 1.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.5 p30 -48.26 174.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mtp180 82.43 150.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.86 26.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 1.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.2 tp -94.79 159.19 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.47 173.18 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.93 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -113.17 173.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.93 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -176.66 163.55 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -128.46 166.86 21.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 1.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 18.2 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.576 1.829 . . . . 1.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 179.09 -179.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.76 57.21 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 1.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 60.36 156.54 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 1.0 110.266 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.52 14.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 1.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' O ' HG22 ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.1 -34.87 3.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 1.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 81.98 162.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 110.409 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 42' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.404 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' H3 ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.484 0.183 . . . . 1.0 111.07 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.55 155.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 7' ' ' VAL . 98.2 t -142.49 141.09 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.0 mp -136.61 123.91 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.96 -89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 1.0 109.347 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.37 24.34 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.889 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.7 t -118.3 153.17 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -132.28 153.17 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 1.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.755 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -149.83 169.19 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.168 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.93 167.01 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 1.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -71.12 156.02 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 108.273 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -12.65 61.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -98.94 23.89 8.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 109.992 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.7 m -142.8 -59.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 108.374 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.94 -26.05 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -19.45 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -96.57 -76.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.2 p80 159.52 -25.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.562 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 21' ' ' ALA . 13.7 ttmm -52.96 -20.15 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' ALA . . . -39.74 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.02 -46.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 1.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -141.71 38.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' C ' ' H3 ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -50.55 148.63 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -164.47 29.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.97 164.48 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -110.78 -45.71 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 1.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.91 179.78 2.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 69.99 151.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 1.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 139.34 24.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.789 . . . . 1.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.58 156.45 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 1.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -138.4 163.34 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -112.87 164.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 mt 176.92 177.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 158.89 34.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.03 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 1.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER 82.98 -7.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 1.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -72.53 -161.11 5.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER 158.31 -49.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 1.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.5 Cg_endo -74.96 155.41 43.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 1.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.05 -80.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 1.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 2.9 m 78.83 -61.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 110.499 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.71 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 5.2 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.506 0.194 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 4' ' ' ILE . 50.1 t -120.57 100.61 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 1.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 7' ' ' VAL . 74.2 t -98.86 140.32 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.007 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.1 mp -137.58 121.41 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 1.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.63 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.28 20.44 3.35 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.925 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.9 t -115.01 157.16 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 1.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.778 ' HE3' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -131.21 132.94 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 1.007 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.7 m-30 -125.31 177.81 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 30' ' ' LEU . . . 174.61 -173.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 p -99.21 157.87 16.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.0 108.311 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -11.87 55.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.85 27.75 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 4.0 m -145.28 -54.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 108.259 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.887 HD13 ' HD2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -57.97 -28.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -18.74 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -99.97 -78.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER 158.56 -24.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 109.654 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.73 -20.13 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.374 1.046 . . . . 1.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -37.96 -33.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -34.61 -49.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -140.47 41.25 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 1.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.55 148.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.05 26.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -86.32 167.76 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 1.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -125.28 -71.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 1.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 28' ' ' ARG . 83.7 m-20 -57.18 90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 166.06 151.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 130.35 13.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 1.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 10' ' ' ALA . 16.9 tp -90.68 130.11 36.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HD2' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.66 167.39 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -116.03 168.53 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.369 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 34' ' ' LYS . 1.7 tm? -166.74 150.83 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.83 ' N ' HD13 ' A' ' 33' ' ' LEU . 11.2 ptmt -138.37 154.85 74.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.15 40.4 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.733 . . . . 1.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -137.78 -155.34 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 1.0 110.343 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.58 13.78 82.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 1.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.44 -52.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 1.0 110.358 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.2 Cg_endo -75.02 155.03 42.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 1.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' PRO . 18.4 Cg_endo -75.0 -44.64 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.828 . . . . 1.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.6 m 58.89 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 1.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 1.0 110.405 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.871 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.4 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.169 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 87.6 t -135.81 156.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 7' ' ' VAL . 75.7 t -135.72 139.05 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.632 HD12 ' OH ' ' A' ' 9' ' ' TYR . 3.8 mt -122.02 100.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 64.52 -89.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' O ' ' CD ' ' A' ' 34' ' ' LYS . . . -120.19 10.09 10.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 1.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.927 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -99.78 138.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -134.39 127.87 32.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.632 ' OH ' HD12 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -146.61 147.03 30.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -161.51 176.39 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.73 157.49 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 1.0 108.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -11.7 61.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.486 ' OG ' ' CZ ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -100.38 24.88 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 1.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 22.9 m -146.53 -57.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 108.328 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tt -58.82 -25.16 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -91.66 -19.3 22.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 36.0 t -98.58 -77.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 1.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.1 t60 158.14 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 1.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -53.7 -19.5 4.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' SD ' ' A' ' 1' ' ' MET . . . -44.28 -26.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 1.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.63 -32.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.8 mm-40 -155.94 39.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 1.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -47.77 151.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 108.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -156.61 24.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -84.14 152.49 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -103.31 -38.3 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -80.1 -179.87 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 1.0 109.272 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.486 ' CZ ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 78.65 151.9 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 1.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -75.0 135.46 19.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.433 1.754 . . . . 1.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 30' ' ' LEU . 8.2 tp -87.09 151.24 23.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.01 160.83 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -132.24 168.11 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.786 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 175.58 175.85 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 6' ' ' GLY . 2.2 ttpm? -165.92 90.43 0.87 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.459 ' HD2' ' CE ' ' A' ' 8' ' ' LYS . 18.4 Cg_endo -75.05 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 1.0 111.048 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 -76.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.18 -92.63 1.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.165 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 171.4 149.78 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 1.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.41 22.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 1.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.41 39.23 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.559 HG23 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -140.28 -58.57 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.559 ' H ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 110.355 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 1.8 ppp? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.442 0.163 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.05 158.3 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 7' ' ' VAL . 89.1 t -143.02 141.54 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.4 mp -137.3 124.22 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 9.9 t30 60.65 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 5' ' ' ASN . . . -139.4 25.45 2.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 1.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.897 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 t -117.79 153.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 1.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 12.5 mttm -128.51 150.17 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 1.8 m-85 -147.87 170.67 17.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.959 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -177.85 167.57 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 1.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p -70.81 155.81 40.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 108.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.4 t0 -58.18 -21.41 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.77 22.3 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.0 m -139.9 -70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 1.0 108.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 10' ' ' ALA . 2.7 tt -58.96 -24.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 1.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -93.74 -20.14 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 84.0 p -102.51 -77.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 110.084 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.8 OUTLIER 159.65 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 1.0 109.64 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.97 -19.71 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -38.23 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.25 -49.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -136.77 45.19 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 1.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 3.5 t -41.42 149.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 27.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.79 162.7 14.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -119.47 -67.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 5.9 m-20 -76.19 114.77 15.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.84 151.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 130.93 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 1.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.68 156.55 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 1.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.27 162.13 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -111.19 164.77 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.689 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER 175.87 175.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 164.08 -52.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 18.2 Cg_endo -75.02 120.65 6.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.7 178.64 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.21 154.19 19.45 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.49 1.119 . . . . 1.0 111.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 66.44 67.55 0.67 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 1.0 110.27 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.76 42.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.462 1.769 . . . . 1.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -51.49 31.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 1.0 110.423 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 42' ' ' THR . 65.1 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.582 ' H1 ' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.581 0.229 . . . . 1.0 110.945 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.5 t -132.73 150.6 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 7' ' ' VAL . 93.5 t -140.99 140.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.649 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.6 mp -133.71 124.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 60.76 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 1.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.86 25.42 2.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.92 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.5 t -118.47 155.38 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 mttt -122.41 159.88 26.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 4' ' ' ILE . 19.4 m-85 -159.09 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 173.16 166.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.1 p -67.96 156.47 37.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.593 1.183 . . . . 1.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.75 24.46 8.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.1 m -145.74 -60.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 108.257 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.2 tt -57.83 -25.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -19.56 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -96.78 -75.79 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 17' ' ' SER . 1.9 t-80 158.89 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.73 -19.17 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.67 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.19 -32.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.0 tt0 -156.0 39.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 1.2 t -52.49 144.24 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tt0 -154.18 23.07 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -78.66 164.8 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -108.79 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.278 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 2.1 t70 -50.19 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.442 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 2.5 ttp180 79.74 151.64 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 1.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -74.98 136.41 20.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 1.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 7.8 tp -90.99 164.31 14.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.17 169.72 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.37 170.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.19 . . . . 1.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.814 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.568 0.223 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 ' OH ' ' A' ' 9' ' ' TYR . 65.6 t -114.58 145.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 62.6 t -128.71 139.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.2 mt -117.33 99.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.24 -82.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 1.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.85 2.26 6.88 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.485 1.116 . . . . 1.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.4 t -91.99 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.578 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.59 129.86 49.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 1.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.78 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -149.3 144.46 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -155.4 167.76 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' ILE . 4.0 p -56.47 159.18 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -11.39 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.92 26.05 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 32.5 m -150.41 -52.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 1.0 108.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -59.68 -24.76 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -102.04 -79.18 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.0 109.993 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.78 -24.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.566 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 21' ' ' ALA . 19.0 mttt -51.99 -20.31 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -43.83 -26.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.16 -32.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.64 43.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -52.63 146.8 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 1.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 20.28 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -87.89 159.93 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 109.623 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.17 -61.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.65 178.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.28 150.79 0.13 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 145.27 31.33 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.47 1.774 . . . . 1.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.9 tp -93.54 149.13 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 156.43 43.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -131.66 168.52 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 1.3 tp . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.915 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.603 HG12 ' OH ' ' A' ' 9' ' ' TYR . 9.3 t -95.0 142.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 61.4 t -129.83 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' OH ' ' A' ' 9' ' ' TYR . 23.4 mt -122.03 110.2 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 60.84 -88.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.595 1.184 . . . . 1.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.17 23.11 4.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 1.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.9 t -109.99 138.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HA ' HG22 ' A' ' 3' ' ' VAL . 7.2 ttmt -121.34 110.74 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' HG12 ' A' ' 2' ' ' VAL . 3.5 p90 -137.33 142.05 41.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.915 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -144.62 165.64 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.806 ' HA ' HD13 ' A' ' 30' ' ' LEU . 2.7 p -55.63 159.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 108.312 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -11.67 60.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 24.73 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 110.066 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 8.9 m -145.5 -55.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -58.8 -25.02 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -18.84 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 1.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 41.2 t -100.79 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 1.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 158.54 -24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' N ' ' A' ' 21' ' ' ALA . 4.8 tttt -52.71 -19.06 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.15 -28.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.44 -35.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.8 tp-100 -155.45 41.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.259 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.19 152.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 1.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 tt0 -158.25 25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -90.2 -177.66 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -128.49 -65.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 1.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -50.44 179.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.08 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.32 22.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.549 1.815 . . . . 1.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 11' ' ' CYS . 3.6 mm? -87.41 122.49 31.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 1.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.89 149.31 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -119.79 161.02 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.536 ' H1 ' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.395 0.141 . . . . 1.0 111.1 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.64 157.18 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -142.03 141.16 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.5 mp -135.95 124.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 1.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.61 -88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.48 25.45 2.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.924 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 t -117.85 154.05 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.628 ' CG ' HG22 ' A' ' 3' ' ' VAL . 1.2 tttp -128.4 150.42 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 2.6 m-85 -148.5 171.16 16.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.05 166.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.236 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.8 p -68.12 156.34 37.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 1.0 108.358 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -13.18 62.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 23.26 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.066 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 11.9 m -142.28 -58.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 1.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.19 -25.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 -19.59 19.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.552 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.5 m -95.58 -75.28 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 159.48 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -52.48 -20.61 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -40.27 -35.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.45 -49.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.74 36.84 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 1.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.536 ' CB ' ' H1 ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -50.35 151.61 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.0 108.275 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -166.57 30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -83.25 164.72 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 1.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -107.61 -74.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -51.82 179.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.28 151.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.359 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 136.54 20.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 1.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.0 tp -90.92 159.02 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -138.68 164.5 29.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -114.16 168.37 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.563 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 9.1 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.171 . . . . 1.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.897 HG12 HD11 ' A' ' 4' ' ' ILE . 91.2 t -135.54 103.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 7' ' ' VAL . 76.5 t -97.9 138.81 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.992 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.2 mp -136.79 124.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 61.2 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 1.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.8 23.44 3.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.561 1.163 . . . . 1.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.935 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.3 t -117.42 157.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -132.04 126.86 34.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 1.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.992 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.7 m-30 -117.79 178.6 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 172.26 166.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 1.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HG ' ' HB2' ' A' ' 14' ' ' CYS . 9.3 p -75.25 157.14 34.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 1.0 108.258 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -11.44 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -104.22 27.38 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 110.045 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.5 m -143.78 -50.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 108.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.847 HD12 ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -59.26 -30.22 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -18.4 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.1 m -103.91 -80.0 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.3 m170 158.17 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -53.2 -17.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -41.34 -27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.95 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.7 pt20 -154.49 45.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.7 t -47.25 152.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 1.0 108.38 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -170.52 32.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 1.0 110.233 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -85.7 -177.66 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 1.0 109.63 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -112.44 -74.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -50.76 179.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 1.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 18.0 tpp180 70.56 135.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -74.98 149.31 36.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.07 129.87 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 167.68 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -107.48 163.0 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.3 tp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.296 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.43 0.157 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.38 156.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 1.0 109.233 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -141.56 141.3 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 1.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.2 mp -136.38 121.53 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.07 -90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.41 20.18 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 1.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.7 t -113.71 153.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 23.1 ttpt -133.1 152.32 51.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.73 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.5 m-85 -149.51 169.56 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 14' ' ' CYS . . . -173.79 166.86 4.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 13' ' ' SER . 1.6 p -76.47 161.43 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 15' ' ' ILE . 4.1 t70 -54.86 -22.44 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 1.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.16 17.32 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.538 ' CB ' ' HB1' ' A' ' 10' ' ' ALA . 22.0 m -136.95 -48.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 1.0 108.373 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 33' ' ' LEU . 3.8 tp -61.95 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -48.83 -23.95 1.27 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 1.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -160.79 -75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CG ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -175.41 28.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 1.0 109.679 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -62.24 -13.44 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 1.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -52.81 -25.78 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -39.03 -30.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.9 tt0 -156.07 43.86 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 1.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLN . 35.8 t -41.08 99.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -111.45 7.32 20.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 1.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 18.3 m80 -70.8 -177.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -141.53 -47.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 1.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 45.0 p-10 -86.42 179.81 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 84.35 148.9 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 1.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 164.12 34.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 1.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD12 ' CA ' ' A' ' 11' ' ' CYS . 8.6 tp -101.33 157.5 16.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 109.213 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 164.22 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.23 172.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.859 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 4.4 ptm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.777 HG12 ' OH ' ' A' ' 9' ' ' TYR . 79.1 t -121.13 145.61 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 7' ' ' VAL . 53.9 t -127.81 138.6 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.509 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.4 mt -117.04 100.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.95 -83.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 1.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.13 2.72 7.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 1.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.931 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.2 t -92.31 138.5 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 1.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -126.97 127.06 44.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.777 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -145.77 145.39 30.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 1.0 110.984 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -158.37 173.37 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.7 p -56.75 157.36 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 1.0 108.319 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -11.98 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 23.64 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.8 m -146.29 -56.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 1.0 108.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -58.21 -25.03 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -93.67 -19.46 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 71.4 m -98.07 -76.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 1.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 159.35 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.563 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 21' ' ' ALA . 5.8 mmtp -51.69 -20.87 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -39.7 -30.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.34 -48.23 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -137.38 39.19 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.067 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -57.3 146.26 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 25.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.3 160.86 27.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 109.584 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -105.97 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 63.5 m-20 -50.28 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.57 151.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 110.266 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.97 139.25 24.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.621 1.853 . . . . 1.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.1 tp -89.67 153.39 20.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -135.71 159.88 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 1.0 109.251 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.0 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 1.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.271 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.842 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 14.4 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.546 0.213 . . . . 1.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 4' ' ' ILE . 82.9 t -130.05 101.48 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.943 HG13 ' O ' ' A' ' 7' ' ' VAL . 68.9 t -99.58 140.45 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 1.027 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.0 mp -136.9 121.09 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 1.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.72 -88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.94 19.45 3.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.943 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.6 t -113.94 156.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 0.776 . . . . 1.0 109.355 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.12 132.54 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 1.027 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.4 m-30 -123.98 177.41 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 9' ' ' TYR . . . 174.07 166.36 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -79.45 160.51 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -54.68 -23.74 18.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 1.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -84.55 9.62 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 21.9 m -128.75 -47.04 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 1.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.6 tp -61.86 -24.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -24.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m -160.61 -74.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.8 m-70 -175.73 28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.64 -13.86 25.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -51.36 -27.44 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -39.35 -30.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -155.62 44.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 1' ' ' MET . 37.0 t -41.4 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 108.259 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . 7.0 tt0 -115.76 12.19 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 13' ' ' SER . 23.3 m80 -73.18 175.2 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -136.47 -70.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 1.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 1.5 p30 -77.58 115.02 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.62 151.81 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.7 31.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 10' ' ' ALA . 15.8 tp -93.91 125.25 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.1 166.29 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -113.85 162.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.967 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 1.0 109.231 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.833 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.477 0.18 . . . . 1.0 111.019 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.739 HG12 HD11 ' A' ' 4' ' ' ILE . 87.5 t -134.25 102.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 7' ' ' VAL . 79.0 t -98.48 138.78 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.998 HD13 ' CE2' ' A' ' 9' ' ' TYR . 3.9 mp -135.13 123.15 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' ILE . 8.0 t30 61.95 -88.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 21.14 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.949 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.4 t -115.43 158.17 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.563 ' HA ' HG22 ' A' ' 3' ' ' VAL . 10.9 mttp -131.93 129.92 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.998 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.9 m-30 -119.98 178.19 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 1.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 169.0 165.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 p -76.81 156.41 32.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 108.285 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.5 t0 -65.51 -21.13 66.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 1.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -89.09 17.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.964 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.1 m -137.03 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.714 HD11 HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -53.78 -30.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.372 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.0 tptm -59.51 -42.28 91.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.42 1.67 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' CYS . 2.1 t-160 79.04 -1.07 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 21' ' ' ALA . 6.6 ttmm -56.93 -17.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' CB ' ' A' ' 10' ' ' ALA . . . -45.38 -25.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -38.77 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.1 tp60 -151.37 51.96 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.833 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.4 t -78.41 152.06 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 108.391 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.0 pt-20 -170.84 33.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -87.68 164.51 15.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 1.0 109.505 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' ARG . 5.8 t-20 -121.0 -57.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 8.9 p-10 -69.7 63.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -164.21 152.44 11.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.18 5.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 1.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.13 147.28 29.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.99 164.34 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -107.44 154.48 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.366 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 13.2 ptt? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.514 0.197 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.768 HG12 ' OH ' ' A' ' 9' ' ' TYR . 75.7 t -118.44 145.79 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 58.6 t -127.84 138.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.5 mt -117.0 99.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.11 -83.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.33 2.68 7.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -92.42 138.84 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 0.804 . . . . 1.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.82 128.67 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.768 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -148.07 149.61 32.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 111.075 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -162.05 166.87 25.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.49 158.7 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 1.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -12.13 60.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.24 24.88 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.953 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 34.5 m -147.64 -51.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.06 -25.07 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -18.84 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 13.2 t -101.52 -78.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.0 t-80 155.95 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 21' ' ' ALA . 8.2 mttm -52.62 -19.94 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -42.13 -28.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.54 -35.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.48 41.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.243 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -44.17 151.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 108.307 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -149.85 21.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 1.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -88.54 150.93 22.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.617 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.88 -35.12 8.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 1.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.05 179.15 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.93 150.72 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.99 29.91 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 30' ' ' LEU . 6.6 tp -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 1.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 158.86 15.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.59 161.37 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HA ' HD22 ' A' ' 33' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.619 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.538 0.209 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.66 150.53 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 7' ' ' VAL . 95.6 t -141.0 141.0 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.624 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.7 mp -134.2 119.95 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.84 17.7 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.424 1.078 . . . . 1.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.8 t -110.11 155.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 1.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 3' ' ' VAL . 4.7 mtmm -122.16 160.28 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 25.3 m-85 -160.25 174.33 14.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 1.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.618 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 172.45 166.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 1.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 15' ' ' ILE . 11.7 p -70.02 157.39 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.599 1.187 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.77 26.38 8.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 1.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.5 m -148.22 -56.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 1.0 108.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.9 -24.93 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -19.07 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.6 t -99.1 -77.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.2 m170 159.22 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 109.629 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 21' ' ' ALA . 3.4 mptt -53.0 -19.67 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.81 -27.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 1.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.25 -32.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.2 pt20 -156.02 40.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.619 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -52.02 137.51 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 108.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.57 12.44 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -73.11 161.31 30.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 1.0 109.646 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.69 -72.11 0.73 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.419 1.074 . . . . 1.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.5 p30 -48.26 174.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mtp180 82.43 150.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.86 26.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 1.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.2 tp -94.79 159.19 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.47 173.18 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.93 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -113.17 173.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.93 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.47 ' H3 ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.484 0.183 . . . . 1.0 111.07 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.55 155.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 7' ' ' VAL . 98.2 t -142.49 141.09 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.0 mp -136.61 123.91 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.96 -89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 1.0 109.347 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.37 24.34 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.889 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.7 t -118.3 153.17 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -132.28 153.17 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 1.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.755 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -149.83 169.19 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.168 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.93 167.01 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 1.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 15.3 p -71.12 156.02 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 108.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -12.65 61.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -98.94 23.89 8.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 109.992 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.7 m -142.8 -59.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 108.374 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.94 -26.05 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -19.45 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -96.57 -76.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.2 p80 159.52 -25.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.562 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 21' ' ' ALA . 13.7 ttmm -52.96 -20.15 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' ALA . . . -39.74 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.02 -46.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 1.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -141.71 38.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' C ' ' H3 ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -50.55 148.63 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -164.47 29.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.97 164.48 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -110.78 -45.71 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 1.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.91 179.78 2.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 69.99 151.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 1.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 139.34 24.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.789 . . . . 1.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.58 156.45 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 1.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -138.4 163.34 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -112.87 164.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.71 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 5.2 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.506 0.194 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 4' ' ' ILE . 50.1 t -120.57 100.61 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 1.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 7' ' ' VAL . 74.2 t -98.86 140.32 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 1.007 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.1 mp -137.58 121.41 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 1.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.63 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.28 20.44 3.35 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.925 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.9 t -115.01 157.16 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 1.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.778 ' HE3' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -131.21 132.94 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 1.007 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.7 m-30 -125.31 177.81 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 30' ' ' LEU . . . 174.61 -173.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 9.7 p -99.21 157.87 16.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.0 108.311 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -11.87 55.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.85 27.75 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 4.0 m -145.28 -54.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 108.259 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.887 HD13 ' HD2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -57.97 -28.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -18.74 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -99.97 -78.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER 158.56 -24.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 109.654 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.73 -20.13 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.374 1.046 . . . . 1.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -37.96 -33.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -34.61 -49.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -140.47 41.25 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 1.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.55 148.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.05 26.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -86.32 167.76 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 1.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -125.28 -71.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 1.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 28' ' ' ARG . 83.7 m-20 -57.18 90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 166.06 151.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 130.35 13.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 1.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 10' ' ' ALA . 16.9 tp -90.68 130.11 36.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HD2' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.66 167.39 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -116.03 168.53 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.369 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD12 ' HE3' ' A' ' 8' ' ' LYS . 1.7 tm? . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.871 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.4 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.169 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 87.6 t -135.81 156.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 7' ' ' VAL . 75.7 t -135.72 139.05 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.632 HD12 ' OH ' ' A' ' 9' ' ' TYR . 3.8 mt -122.02 100.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 64.52 -89.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.19 10.09 10.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 1.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.927 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -99.78 138.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -134.39 127.87 32.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.632 ' OH ' HD12 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -146.61 147.03 30.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -161.51 176.39 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.73 157.49 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 1.0 108.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -11.7 61.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.486 ' OG ' ' CZ ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -100.38 24.88 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 1.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 22.9 m -146.53 -57.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 108.328 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tt -58.82 -25.16 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -91.66 -19.3 22.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 36.0 t -98.58 -77.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 1.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.1 t60 158.14 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 1.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -53.7 -19.5 4.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' SD ' ' A' ' 1' ' ' MET . . . -44.28 -26.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 1.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.63 -32.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.8 mm-40 -155.94 39.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 1.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -47.77 151.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 108.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -156.61 24.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -84.14 152.49 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.31 -38.3 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -80.1 -179.87 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 1.0 109.272 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.486 ' CZ ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 78.65 151.9 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 1.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -75.0 135.46 19.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.433 1.754 . . . . 1.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 30' ' ' LEU . 8.2 tp -87.09 151.24 23.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.01 160.83 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -132.24 168.11 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.786 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.471 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 1.8 ppp? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.442 0.163 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.05 158.3 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 7' ' ' VAL . 89.1 t -143.02 141.54 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.4 mp -137.3 124.22 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 9.9 t30 60.65 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 5' ' ' ASN . . . -139.4 25.45 2.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 1.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.897 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 t -117.79 153.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 1.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 12.5 mttm -128.51 150.17 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 1.8 m-85 -147.87 170.67 17.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.959 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -177.85 167.57 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 1.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.451 ' HG ' ' HB2' ' A' ' 14' ' ' CYS . 16.1 p -70.81 155.81 40.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 108.298 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.4 t0 -58.18 -21.41 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.77 22.3 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.0 m -139.9 -70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 1.0 108.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 10' ' ' ALA . 2.7 tt -58.96 -24.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 1.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -93.74 -20.14 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 84.0 p -102.51 -77.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 110.084 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.1 p80 159.65 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 1.0 109.64 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.97 -19.71 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -38.23 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.25 -49.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -136.77 45.19 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 1.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 3.5 t -41.42 149.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 27.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.79 162.7 14.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 -67.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 5.9 m-20 -76.19 114.77 15.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.84 151.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 130.93 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 1.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.68 156.55 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 1.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.27 162.13 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -111.19 164.77 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.689 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.582 ' H1 ' ' HB3' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.581 0.229 . . . . 1.0 110.945 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.5 t -132.73 150.6 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 1.0 109.354 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.92 HG13 ' O ' ' A' ' 7' ' ' VAL . 93.5 t -140.99 140.55 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 1.0 109.348 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.649 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.6 mp -133.71 124.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.548 1.155 . . . . 1.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.4 t30 60.76 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 1.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.86 25.42 2.4 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 1.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.92 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.5 t -118.47 155.38 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.59 0.818 . . . . 1.0 109.324 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 mttt -122.41 159.88 26.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 1.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 4' ' ' ILE . 19.4 m-85 -159.09 174.04 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 1.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 173.16 166.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.1 p -67.96 156.47 37.19 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.593 1.183 . . . . 1.0 108.278 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.01 -12.68 61.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 1.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.75 24.46 8.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 1.0 109.996 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.1 m -145.74 -60.75 0.33 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 1.0 108.257 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.2 tt -57.83 -25.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.63 -19.56 20.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 1.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.542 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -96.78 -75.79 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 1.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.542 ' CB ' ' O ' ' A' ' 17' ' ' SER . 1.9 t-80 158.89 -25.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.602 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -53.73 -19.17 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.594 1.184 . . . . 1.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.67 -27.16 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 1.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.19 -32.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 1.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.0 tt0 -156.0 39.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 110.323 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.582 ' HB3' ' H1 ' ' A' ' 1' ' ' MET . 1.2 t -52.49 144.24 13.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 1.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 2.8 tt0 -154.18 23.07 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.54 1.15 . . . . 1.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -78.66 164.8 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 1.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -108.79 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.278 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 2.1 t70 -50.19 178.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 1.0 109.368 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.442 ' CG ' ' HD2' ' A' ' 29' ' ' PRO . 2.5 ttp180 79.74 151.64 0.12 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 1.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -74.98 136.41 20.41 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 1.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 7.8 tp -90.99 164.31 14.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.17 169.72 18.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.092 . . . . 1.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.0 OUTLIER -111.37 170.62 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.605 1.19 . . . . 1.0 109.259 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.736 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -176.45 165.99 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HG2' ' CD ' ' A' ' 35' ' ' PRO . 5.7 mtpt -142.06 173.77 4.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 1.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' CD ' ' HG2' ' A' ' 34' ' ' LYS . 18.3 Cg_endo -75.04 82.25 2.05 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.468 1.773 . . . . 1.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 58.88 158.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 1.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -152.17 -73.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 1.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 0.4 OUTLIER 86.32 150.74 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.465 0.744 . . . . 1.0 110.287 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 160.45 40.29 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.462 1.77 . . . . 1.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -23.7 13.77 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.561 1.822 . . . . 1.0 111.041 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.475 ' C ' ' HG1' ' A' ' 42' ' ' THR . 86.7 m -124.43 -80.34 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 1.0 110.372 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.475 ' HG1' ' C ' ' A' ' 41' ' ' THR . 3.4 m . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 1.0 110.351 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.814 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.568 0.223 . . . . 1.0 110.997 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.78 HG12 ' OH ' ' A' ' 9' ' ' TYR . 65.6 t -114.58 145.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.416 1.072 . . . . 1.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 62.6 t -128.71 139.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 1.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.514 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.2 mt -117.33 99.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 1.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 67.24 -82.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 1.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.85 2.26 6.88 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.485 1.116 . . . . 1.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.4 t -91.99 138.78 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 1.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.578 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.59 129.86 49.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 1.0 109.225 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.78 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -149.3 144.46 26.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 1.0 111.008 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -155.4 167.76 29.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 1.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.687 ' O ' HG22 ' A' ' 15' ' ' ILE . 4.0 p -56.47 159.18 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 1.0 108.354 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.39 -11.39 60.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.92 26.05 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 1.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 32.5 m -150.41 -52.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 1.0 108.3 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.687 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -59.68 -24.76 29.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 1.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -102.04 -79.18 0.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 1.0 109.993 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER 158.78 -24.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.566 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 21' ' ' ALA . 19.0 mttt -51.99 -20.31 2.32 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 1.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.814 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -43.83 -26.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 1.0 109.283 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.16 -32.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.64 43.72 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 1.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.429 ' HB3' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -52.63 146.8 9.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 1.0 108.308 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -139.98 20.28 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 1.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -87.89 159.93 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 1.0 109.623 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.17 -61.68 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.65 178.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.28 150.79 0.13 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 1.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 145.27 31.33 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.47 1.774 . . . . 1.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.9 tp -93.54 149.13 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 1.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.7 156.43 43.49 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 1.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.553 ' O ' HD13 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -131.66 168.52 23.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 32' ' ' ILE . 1.3 tp 174.73 174.25 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 1.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -139.99 158.47 67.26 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -89.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.78 . . . . 1.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 61.9 133.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 1.0 110.277 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -98.08 -129.82 6.54 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.58 1.175 . . . . 1.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 69.76 68.93 0.4 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.598 0.823 . . . . 1.0 110.245 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 156.7 42.66 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 1.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.3 Cg_endo -75.0 -82.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.529 1.805 . . . . 1.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.458 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 0.9 OUTLIER 169.53 -42.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 1.0 110.473 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 42' ' ' THR . 10.8 m . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 1.0 110.4 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.915 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 1.0 110.999 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.603 HG12 ' OH ' ' A' ' 9' ' ' TYR . 9.3 t -95.0 142.67 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 61.4 t -129.83 138.41 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.526 HD11 ' OH ' ' A' ' 9' ' ' TYR . 23.4 mt -122.03 110.2 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 1.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 60.84 -88.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.595 1.184 . . . . 1.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -129.17 23.11 4.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 1.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 10.9 t -109.99 138.5 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 0.757 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.668 ' HA ' HG22 ' A' ' 3' ' ' VAL . 7.2 ttmt -121.34 110.74 16.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.603 ' OH ' HG12 ' A' ' 2' ' ' VAL . 3.5 p90 -137.33 142.05 41.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 1.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.915 ' HB2' ' CB ' ' A' ' 1' ' ' MET . . . -144.62 165.64 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 1.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.806 ' HA ' HD13 ' A' ' 30' ' ' LEU . 2.7 p -55.63 159.81 2.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 1.0 108.312 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.48 -11.67 60.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 1.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 24.73 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 1.0 110.066 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 8.9 m -145.5 -55.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 1.0 108.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 11' ' ' CYS . 1.2 tt -58.8 -25.02 27.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 1.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -18.84 23.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 1.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.562 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 41.2 t -100.79 -78.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 1.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 158.54 -24.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 1.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' C ' ' N ' ' A' ' 21' ' ' ALA . 4.8 tttt -52.71 -19.06 2.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 1.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.506 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -41.15 -28.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 1.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.44 -35.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 1.139 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' ALA . 9.8 tp-100 -155.45 41.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 110.259 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.19 152.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 1.0 108.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 1.3 tt0 -158.25 25.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -90.2 -177.66 5.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 1.0 109.604 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -128.49 -65.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 1.0 109.344 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -50.44 179.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 1.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.08 151.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 1.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 138.32 22.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.549 1.815 . . . . 1.0 111.004 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 11' ' ' CYS . 3.6 mm? -87.41 122.49 31.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 1.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.89 149.31 24.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -119.79 161.02 19.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.85 -179.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.67 161.82 61.41 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 1.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 56.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.536 1.808 . . . . 1.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -140.6 82.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 1.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.76 -33.13 1.45 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 1.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 3.6 mtp180 -64.86 -53.19 44.76 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 1.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.5 Cg_endo -75.03 155.54 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.418 1.746 . . . . 1.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -162.7 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.472 1.775 . . . . 1.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 42' ' ' THR . 81.2 p -42.51 -92.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 110.378 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' OG1' ' A' ' 41' ' ' THR . 2.8 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 1.0 110.451 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.536 ' H1 ' ' CB ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.395 0.141 . . . . 1.0 111.1 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 73.5 t -136.64 157.18 36.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.924 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -142.03 141.16 29.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 1.0 109.34 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.538 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.5 mp -135.95 124.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.516 1.135 . . . . 1.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.2 t30 60.61 -88.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 1.0 109.324 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.48 25.45 2.73 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.45 1.094 . . . . 1.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.924 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 t -117.85 154.05 19.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 1.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.628 ' CG ' HG22 ' A' ' 3' ' ' VAL . 1.2 tttp -128.4 150.42 50.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 1.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.583 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 2.6 m-85 -148.5 171.16 16.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 1.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.05 166.74 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 1.0 109.236 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HA ' HD12 ' A' ' 30' ' ' LEU . 14.8 p -68.12 156.34 37.68 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 1.0 108.358 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -13.18 62.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 1.0 109.248 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 23.26 8.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 1.0 110.066 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 11.9 m -142.28 -58.27 0.45 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 1.0 108.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.2 tt -57.19 -25.51 23.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 1.0 109.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.45 -19.59 19.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 1.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.552 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 3.5 m -95.58 -75.28 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 1.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.0 OUTLIER 159.48 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 1.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -52.48 -20.61 3.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 1.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.475 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -40.27 -35.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 1.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.45 -49.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -136.74 36.84 2.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 1.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.536 ' CB ' ' H1 ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -50.35 151.61 2.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 1.0 108.275 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -166.57 30.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 1.0 110.321 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -83.25 164.72 19.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 1.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -107.61 -74.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -51.82 179.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 1.0 109.282 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.28 151.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 1.0 110.359 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 136.54 20.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.554 1.818 . . . . 1.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.0 tp -90.92 159.02 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 1.0 109.378 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -138.68 164.5 29.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.785 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -114.16 168.37 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 1.0 109.251 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 172.34 176.76 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 1.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.36 89.64 3.27 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 1.0 109.312 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 122.35 7.17 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.496 1.788 . . . . 1.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -109.2 5.18 23.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -40.76 -41.44 2.49 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.543 1.152 . . . . 1.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 66.97 149.18 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.784 . . . . 1.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 156.58 42.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 1.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -165.28 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 1.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.68 HG23 ' H ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -162.33 -81.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 1.0 110.425 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.68 ' H ' HG23 ' A' ' 41' ' ' THR . 77.2 p . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.542 1.151 . . . . 1.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.563 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 9.1 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.171 . . . . 1.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.897 HG12 HD11 ' A' ' 4' ' ' ILE . 91.2 t -135.54 103.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 1.0 109.322 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.935 HG13 ' O ' ' A' ' 7' ' ' VAL . 76.5 t -97.9 138.81 21.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.505 1.128 . . . . 1.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.992 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.2 mp -136.79 124.45 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 1.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.8 t30 61.2 -89.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 1.0 109.316 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.8 23.44 3.23 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.561 1.163 . . . . 1.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.935 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.3 t -117.42 157.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 0.769 . . . . 1.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.575 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -132.04 126.86 34.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 1.0 109.267 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.992 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.7 m-30 -117.79 178.6 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 110.976 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.847 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 172.26 166.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 1.0 109.253 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.3 p -75.25 157.14 34.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.12 . . . . 1.0 108.258 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.08 -11.44 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 1.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' N ' ' HG2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -104.22 27.38 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 110.045 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.5 m -143.78 -50.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 1.0 108.307 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.847 HD12 ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -59.26 -30.22 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.24 -18.4 49.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.567 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.1 m -103.91 -80.0 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 1.0 109.977 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.567 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.3 m170 158.17 -23.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD3' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -53.2 -17.81 1.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 1.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -41.34 -27.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 1.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.95 -34.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' ALA . 1.7 pt20 -154.49 45.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.7 t -47.25 152.39 0.6 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 1.0 108.38 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -170.52 32.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 1.0 110.233 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -85.7 -177.66 6.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.143 . . . . 1.0 109.63 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -112.44 -74.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 1.0 109.254 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -50.76 179.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.102 . . . . 1.0 109.34 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' CD ' ' HD2' ' A' ' 29' ' ' PRO . 18.0 tpp180 70.56 135.97 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 1.0 110.355 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -74.98 149.31 36.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 1.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.9 tp -86.07 129.87 34.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 1.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 167.68 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 1.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.891 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -107.48 163.0 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 1.0 109.291 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.891 ' N ' HD12 ' A' ' 32' ' ' ILE . 3.3 tp -150.17 134.22 17.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 1.0 109.296 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 7' ' ' VAL . 0.2 OUTLIER 174.1 -56.6 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 1.0 109.289 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' O ' ' CG ' ' A' ' 36' ' ' ARG . 18.3 Cg_endo -75.04 56.97 4.44 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 1.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 35' ' ' PRO . 12.1 ptm180 44.25 -168.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 1.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.5 -157.47 18.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 1.0 111.035 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 95.04 49.03 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 1.0 110.224 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 18.2 Cg_endo -74.98 155.28 43.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.42 1.747 . . . . 1.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 39' ' ' PRO . 18.1 Cg_endo -75.05 148.56 35.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 1.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.4 p -52.8 107.59 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 1.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 1.0 110.374 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.43 0.157 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.38 156.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 1.0 109.233 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.913 HG13 ' O ' ' A' ' 7' ' ' VAL . 97.6 t -141.56 141.3 30.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 1.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.73 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.2 mp -136.38 121.53 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.07 -90.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 1.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.41 20.18 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 1.0 111.051 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.913 ' O ' HG13 ' A' ' 3' ' ' VAL . 3.7 t -113.71 153.89 15.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.752 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 23.1 ttpt -133.1 152.32 51.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 1.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.73 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.5 m-85 -149.51 169.56 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 1.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.538 ' HB1' ' CB ' ' A' ' 14' ' ' CYS . . . -173.79 166.86 4.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 1.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 13' ' ' SER . 1.6 p -76.47 161.43 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 1.0 108.319 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HA ' HG22 ' A' ' 15' ' ' ILE . 4.1 t70 -54.86 -22.44 14.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 1.0 109.363 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 25' ' ' HIS . 0.7 OUTLIER -89.16 17.32 6.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 109.994 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.538 ' CB ' ' HB1' ' A' ' 10' ' ' ALA . 22.0 m -136.95 -48.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 1.0 108.373 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.596 HD11 HD13 ' A' ' 33' ' ' LEU . 3.8 tp -61.95 -24.34 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 1.0 109.267 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -48.83 -23.95 1.27 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 1.0 109.349 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.408 ' N ' ' C ' ' A' ' 15' ' ' ILE . 0.6 OUTLIER -160.79 -75.15 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 1.0 109.971 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CG ' ' C ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -175.41 28.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.156 . . . . 1.0 109.679 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -62.24 -13.44 28.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 1.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 1' ' ' MET . . . -52.81 -25.78 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 1.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -39.03 -30.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 4.9 tt0 -156.07 43.86 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 1.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' C ' ' O ' ' A' ' 22' ' ' GLN . 35.8 t -41.08 99.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 1.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 22' ' ' GLN . 0.6 OUTLIER -111.45 7.32 20.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 1.149 . . . . 1.0 110.286 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 13' ' ' SER . 18.3 m80 -70.8 -177.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 1.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -141.53 -47.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.149 . . . . 1.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 45.0 p-10 -86.42 179.81 6.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 1.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 84.35 148.9 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 1.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 164.12 34.07 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.407 1.741 . . . . 1.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD12 ' CA ' ' A' ' 11' ' ' CYS . 8.6 tp -101.33 157.5 16.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 1.0 109.213 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 164.22 30.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 1.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.829 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.23 172.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER 170.99 174.84 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -177.78 88.95 0.24 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 1.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.388 1.731 . . . . 1.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -9.77 58.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 1.0 110.373 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 111.77 -16.47 25.94 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.509 1.13 . . . . 1.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.495 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 6.1 mtm180 162.87 -52.31 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 0.762 . . . . 1.0 110.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -74.96 156.78 43.19 Favored 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.448 1.762 . . . . 1.0 111.01 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.46 1.769 . . . . 1.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 42' ' ' THR . 5.2 t -173.99 37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.102 . . . . 1.0 110.446 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 41' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 1.0 110.404 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.859 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 4.4 ptm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 1.0 111.01 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.777 HG12 ' OH ' ' A' ' 9' ' ' TYR . 79.1 t -121.13 145.61 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.931 HG13 ' O ' ' A' ' 7' ' ' VAL . 53.9 t -127.81 138.6 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 1.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.509 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.4 mt -117.04 100.05 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 1.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.95 -83.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 1.0 109.289 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -127.13 2.72 7.29 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.439 1.087 . . . . 1.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.931 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.2 t -92.31 138.5 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.559 0.799 . . . . 1.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.619 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.6 OUTLIER -126.97 127.06 44.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.222 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.777 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.8 OUTLIER -145.77 145.39 30.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 1.0 110.984 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -158.37 173.37 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 1.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 30' ' ' LEU . 11.7 p -56.75 157.36 5.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 1.0 108.319 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.87 -11.98 61.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 23.64 8.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 1.0 109.984 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 32.8 m -146.29 -56.79 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 1.0 108.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -58.21 -25.03 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 1.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -93.67 -19.46 21.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 1.0 109.371 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 71.4 m -98.07 -76.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 1.0 110.027 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER 159.35 -24.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 109.563 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 21' ' ' ALA . 5.8 mmtp -51.69 -20.87 2.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 1.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -39.7 -30.22 0.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 1.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -37.34 -48.23 0.9 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -137.38 39.19 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.408 1.067 . . . . 1.0 110.349 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -57.3 146.26 29.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 108.297 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.31 25.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 1.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -78.3 160.86 27.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 109.584 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -105.97 -73.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.335 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 63.5 m-20 -50.28 178.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 79.57 151.34 0.12 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 1.0 110.266 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.97 139.25 24.13 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.621 1.853 . . . . 1.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.1 tp -89.67 153.39 20.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 1.0 109.349 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' HB3' HG21 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -135.71 159.88 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.424 1.078 . . . . 1.0 109.251 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.04 168.0 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 1.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 172.33 179.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.271 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -161.78 85.36 1.65 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -27.05 10.41 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.599 1.842 . . . . 1.0 111.073 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.75 125.15 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.525 1.14 . . . . 1.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.94 103.18 0.17 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 1.0 111.067 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 64.66 70.86 0.6 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.43 0.723 . . . . 1.0 110.318 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 155.17 43.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 1.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 82.79 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.79 . . . . 1.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.481 HG22 HG22 ' A' ' 42' ' ' THR . 52.6 m 46.48 -101.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.481 HG22 HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 1.0 110.359 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.842 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 14.4 ptp . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.546 0.213 . . . . 1.0 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.86 HG12 HD11 ' A' ' 4' ' ' ILE . 82.9 t -130.05 101.48 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 1.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.943 HG13 ' O ' ' A' ' 7' ' ' VAL . 68.9 t -99.58 140.45 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.348 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.027 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.0 mp -136.9 121.09 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 1.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 63.72 -88.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.94 19.45 3.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.943 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.6 t -113.94 156.69 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.519 0.776 . . . . 1.0 109.355 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -131.12 132.54 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 1.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 1.027 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.4 m-30 -123.98 177.41 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 9' ' ' TYR . . . 174.07 166.36 0.21 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 1.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 p -79.45 160.51 26.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 1.0 108.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.463 ' HA ' HG22 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -54.68 -23.74 18.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 1.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -84.55 9.62 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 19' ' ' LYS . 21.9 m -128.75 -47.04 1.26 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.471 1.107 . . . . 1.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.731 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.6 tp -61.86 -24.91 35.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 1.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.27 -24.31 1.15 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.517 1.135 . . . . 1.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 1.2 m -160.61 -74.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.153 . . . . 1.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.8 m-70 -175.73 28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 1.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -61.64 -13.86 25.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -51.36 -27.44 9.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 1.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -39.35 -30.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.448 ' N ' ' C ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -155.62 44.34 0.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.431 1.082 . . . . 1.0 110.301 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.414 ' HB3' ' N ' ' A' ' 1' ' ' MET . 37.0 t -41.4 99.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 1.0 108.259 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 22' ' ' GLN . 7.0 tt0 -115.76 12.19 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 1.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 13' ' ' SER . 23.3 m80 -73.18 175.2 7.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 1.0 109.565 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -136.47 -70.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 1.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 1.5 p30 -77.58 115.02 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 1.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.62 151.81 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 1.0 110.266 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 145.7 31.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 1.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 10' ' ' ALA . 15.8 tp -93.91 125.25 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 1.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.1 166.29 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 1.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.967 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -113.85 162.79 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 1.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.967 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.2 OUTLIER -155.87 137.24 13.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 1.0 109.231 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.87 166.14 14.97 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 1.0 109.254 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 18.4 Cg_endo -75.01 -38.66 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.422 1.748 . . . . 1.0 111.022 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 67.51 -84.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.24 94.46 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.546 1.154 . . . . 1.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -73.25 -53.01 5.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -74.98 164.47 33.31 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 1.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -87.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.479 1.779 . . . . 1.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 42' ' ' THR . 7.2 m -48.0 157.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.482 HG23 HG22 ' A' ' 41' ' ' THR . 18.0 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.833 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.477 0.18 . . . . 1.0 111.019 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.739 HG12 HD11 ' A' ' 4' ' ' ILE . 87.5 t -134.25 102.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 1.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 7' ' ' VAL . 79.0 t -98.48 138.78 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.998 HD13 ' CE2' ' A' ' 9' ' ' TYR . 3.9 mp -135.13 123.15 39.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 1.0 109.287 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' ILE . 8.0 t30 61.95 -88.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 1.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -136.83 21.14 3.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.471 1.107 . . . . 1.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.949 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.4 t -115.43 158.17 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 0.752 . . . . 1.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' HA ' HG22 ' A' ' 3' ' ' VAL . 10.9 mttp -131.93 129.92 40.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 1.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.998 ' CE2' HD13 ' A' ' 4' ' ' ILE . 18.9 m-30 -119.98 178.19 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 1.0 111.048 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.623 ' HB3' HD12 ' A' ' 15' ' ' ILE . . . 169.0 165.61 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 1.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.3 p -76.81 156.41 32.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 108.285 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 1.5 t0 -65.51 -21.13 66.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 1.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -89.09 17.47 5.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.964 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.1 m -137.03 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 1.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.714 HD11 HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -53.78 -30.75 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.372 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 16.0 tptm -59.51 -42.28 91.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 1.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.42 1.67 35.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 1.0 109.945 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' CYS . 2.1 t-160 79.04 -1.07 2.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 1.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' A' ' 21' ' ' ALA . 6.6 ttmm -56.93 -17.24 8.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 1.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.572 ' HB1' ' CB ' ' A' ' 10' ' ' ALA . . . -45.38 -25.7 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' A' ' 19' ' ' LYS . . . -38.77 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' ALA . 2.1 tp60 -151.37 51.96 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 1.0 110.248 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.833 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.4 t -78.41 152.06 32.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 1.0 108.391 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 18.0 pt-20 -170.84 33.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -87.68 164.51 15.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 1.0 109.505 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 28' ' ' ARG . 5.8 t-20 -121.0 -57.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 1.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' O ' ' CG ' ' A' ' 28' ' ' ARG . 8.9 p-10 -69.7 63.22 0.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 1.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -164.21 152.44 11.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 1.0 110.27 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.18 5.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.482 1.78 . . . . 1.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.13 147.28 29.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 1.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -136.99 164.34 28.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 1.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -107.44 154.48 8.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 1.0 109.366 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 34' ' ' LYS . 0.5 OUTLIER -152.91 145.85 24.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 1.0 109.281 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.879 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -137.94 154.8 74.71 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 1.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -3.07 13.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 1.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptt85 -150.33 176.72 10.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 1.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.25 135.57 1.47 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 1.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.07 79.76 0.32 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 1.0 110.271 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.52 42.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 1.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 171.91 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 1.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -120.72 0.38 10.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.577 1.173 . . . . 1.0 110.364 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 1.0 110.422 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.884 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 13.2 ptt? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.514 0.197 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.768 HG12 ' OH ' ' A' ' 9' ' ' TYR . 75.7 t -118.44 145.79 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 1.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.929 HG13 ' O ' ' A' ' 7' ' ' VAL . 58.6 t -127.84 138.58 54.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 1.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.508 ' CD1' ' OH ' ' A' ' 9' ' ' TYR . 6.5 mt -117.0 99.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 1.0 109.346 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.11 -83.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 1.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.41 ' HA3' ' CA ' ' A' ' 37' ' ' GLY . . . -127.33 2.68 7.18 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 1.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.929 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -92.42 138.84 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.567 0.804 . . . . 1.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.586 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -126.82 128.67 46.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.768 ' OH ' HG12 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -148.07 149.61 32.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 1.0 111.075 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -162.05 166.87 25.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.8 p -54.49 158.7 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 1.0 108.293 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.63 -12.13 60.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 1.0 109.289 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.24 24.88 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.953 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 34.5 m -147.64 -51.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.315 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 tt -59.06 -25.07 28.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 1.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -18.84 25.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.299 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.586 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 13.2 t -101.52 -78.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 1.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.586 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.0 t-80 155.95 -23.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 1.0 109.637 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' C ' ' N ' ' A' ' 21' ' ' ALA . 8.2 mttm -52.62 -19.94 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 1.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -42.13 -28.08 0.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 1.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -35.54 -35.32 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 1.0 109.337 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -155.48 41.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.243 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.439 ' HB3' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -44.17 151.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 108.307 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -149.85 21.93 0.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 1.0 110.326 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -88.54 150.93 22.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 1.0 109.617 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -103.88 -35.12 8.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 1.0 109.297 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.05 179.15 7.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 1.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.93 150.72 0.13 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 1.0 110.292 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.99 29.91 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.506 1.793 . . . . 1.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 30' ' ' LEU . 6.6 tp -87.25 118.74 26.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 1.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.29 158.86 15.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.103 . . . . 1.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' ' N ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.59 161.37 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 1.0 109.307 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.851 HD13 ' H ' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -172.6 162.34 5.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.851 ' H ' HD13 ' A' ' 33' ' ' LEU . 1.4 tptt 77.09 71.75 0.2 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 1.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 177.96 7.89 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.45 1.763 . . . . 1.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 38' ' ' ARG . 19.8 mmt85 39.46 58.43 1.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 110.263 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . 37.82 -96.5 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.146 . . . . 1.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.527 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 1.4 ttp180 158.26 -49.32 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 1.0 110.309 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.3 Cg_endo -75.06 157.63 42.39 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.441 1.759 . . . . 1.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -50.66 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.469 1.773 . . . . 1.0 111.004 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.9 p -132.24 -46.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 42' ' ' THR . 19.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 1.0 110.44 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.619 ' H1 ' ' H ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.538 0.209 . . . . 1.0 110.992 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 82.3 t -131.66 150.53 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.903 HG13 ' O ' ' A' ' 7' ' ' VAL . 95.6 t -141.0 141.0 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 1.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.624 ' CD1' ' CE1' ' A' ' 9' ' ' TYR . 3.7 mp -134.2 119.95 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.34 -86.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.84 17.7 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.424 1.078 . . . . 1.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.903 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.8 t -110.11 155.09 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 0.736 . . . . 1.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 3' ' ' VAL . 4.7 mtmm -122.16 160.28 25.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.624 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 25.3 m-85 -160.25 174.33 14.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 1.0 111.045 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.618 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . 172.45 166.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 1.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' O ' HG22 ' A' ' 15' ' ' ILE . 11.7 p -70.02 157.39 37.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 1.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -11.89 59.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.599 1.187 . . . . 1.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.77 26.38 8.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 1.0 110.06 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 19.5 m -148.22 -56.39 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 1.0 108.281 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.814 HD11 ' HB2' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -58.9 -24.93 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.56 -19.07 23.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 1.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.6 t -99.1 -77.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 1.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 1.2 m170 159.22 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 1.0 109.629 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 21' ' ' ALA . 3.4 mptt -53.0 -19.67 2.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 1.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CA ' ' HB3' ' A' ' 14' ' ' CYS . . . -43.81 -27.0 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.117 . . . . 1.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.25 -32.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ALA . 5.2 pt20 -156.02 40.96 0.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 1.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.619 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 1.0 OUTLIER -52.02 137.51 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 1.0 108.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.57 12.44 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -73.11 161.31 30.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 1.0 109.646 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -109.69 -72.11 0.73 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.419 1.074 . . . . 1.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.5 p30 -48.26 174.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 1.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 1.1 mtp180 82.43 150.85 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 1.0 110.27 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 140.86 26.22 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.474 1.776 . . . . 1.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 11' ' ' CYS . 8.2 tp -94.79 159.19 15.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 1.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.47 173.18 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 1.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.93 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -113.17 173.29 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.93 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -176.66 163.55 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 1.0 109.29 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.62 ' O ' HD23 ' A' ' 33' ' ' LEU . 0.6 OUTLIER -128.46 166.86 21.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 1.0 109.304 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' CG ' ' HE3' ' A' ' 8' ' ' LYS . 18.2 Cg_endo -75.04 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.576 1.829 . . . . 1.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt-85 179.09 -179.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 1.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -74.76 57.21 2.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 1.0 111.079 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.6 mtp85 60.36 156.54 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.467 0.745 . . . . 1.0 110.266 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.52 14.36 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.537 1.809 . . . . 1.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' O ' HG22 ' A' ' 41' ' ' THR . 18.2 Cg_endo -75.1 -34.87 3.42 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 1.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.627 HG22 ' O ' ' A' ' 40' ' ' PRO . 0.6 OUTLIER 81.98 162.17 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 1.0 110.409 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 42' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 1.0 110.404 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' H3 ' ' C ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.484 0.183 . . . . 1.0 111.07 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.55 155.64 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.889 HG13 ' O ' ' A' ' 7' ' ' VAL . 98.2 t -142.49 141.09 28.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 1.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.0 mp -136.61 123.91 32.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 60.96 -89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 1.0 109.347 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -138.37 24.34 2.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 1.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.889 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.7 t -118.3 153.17 20.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 1.0 109.246 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.447 ' CG ' ' O ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -132.28 153.17 50.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 1.074 . . . . 1.0 109.333 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.755 ' CE1' HD12 ' A' ' 4' ' ' ILE . 3.7 m-85 -149.83 169.19 21.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.168 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -176.93 167.01 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 1.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -71.12 156.02 40.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 108.273 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.9 -12.65 61.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.469 ' CB ' ' HD2' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -98.94 23.89 8.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 1.0 109.992 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' HIS . 10.7 m -142.8 -59.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 108.374 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 tt -57.94 -26.05 27.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 1.0 109.286 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.18 -19.45 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 1.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -96.57 -76.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 1.0 110.029 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.2 p80 159.52 -25.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 1.0 109.562 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' C ' ' N ' ' A' ' 21' ' ' ALA . 13.7 ttmm -52.96 -20.15 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 21' ' ' ALA . . . -39.74 -30.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.02 -46.35 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 1.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -141.71 38.86 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 1.0 110.338 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' C ' ' H3 ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -50.55 148.63 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -164.47 29.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 1.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -81.97 164.48 21.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 1.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -110.78 -45.71 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.08 . . . . 1.0 109.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.91 179.78 2.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 1.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HD2' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 69.99 151.89 0.13 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 1.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 28' ' ' ARG . 18.2 Cg_endo -75.02 139.34 24.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.789 . . . . 1.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -88.58 156.45 19.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.105 . . . . 1.0 109.332 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -138.4 163.34 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 1.0 109.224 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.568 ' HB ' ' CD2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -112.87 164.01 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 1.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 mt 176.92 177.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 1.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 158.89 34.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 18.2 Cg_endo -75.03 -178.4 4.15 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 1.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER 82.98 -7.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 1.0 110.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -72.53 -161.11 5.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.46 1.1 . . . . 1.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.538 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.4 OUTLIER 158.31 -49.33 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 1.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.5 Cg_endo -74.96 155.41 43.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 1.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' O ' ' CB ' ' A' ' 41' ' ' THR . 18.1 Cg_endo -75.05 -80.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 1.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.437 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 2.9 m 78.83 -61.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.372 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 110.499 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.71 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 5.2 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.506 0.194 . . . . 1.0 111.05 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 4' ' ' ILE . 50.1 t -120.57 100.61 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 1.0 109.368 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 7' ' ' VAL . 74.2 t -98.86 140.32 18.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 1.0 109.304 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.007 HD13 ' CE2' ' A' ' 9' ' ' TYR . 4.1 mp -137.58 121.41 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 1.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 63.63 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 1.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.28 20.44 3.35 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.524 1.14 . . . . 1.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.925 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.9 t -115.01 157.16 15.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 0.756 . . . . 1.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.778 ' HE3' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -131.21 132.94 45.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 1.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 1.007 ' CE2' HD13 ' A' ' 4' ' ' ILE . 17.7 m-30 -125.31 177.81 5.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 1.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' O ' HD12 ' A' ' 30' ' ' LEU . . . 174.61 -173.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.7 p -99.21 157.87 16.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 1.0 108.311 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.61 -11.87 55.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.85 27.75 7.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 1.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.509 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 4.0 m -145.28 -54.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 1.0 108.259 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.887 HD13 ' HD2' ' A' ' 31' ' ' LYS . 0.4 OUTLIER -57.97 -28.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 1.0 109.262 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -18.74 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 1.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -99.97 -78.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 110.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 17' ' ' SER . 0.9 OUTLIER 158.56 -24.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 1.0 109.654 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.73 -20.13 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.374 1.046 . . . . 1.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB1' ' HG3' ' A' ' 1' ' ' MET . . . -37.96 -33.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -34.61 -49.12 0.4 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 1.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -140.47 41.25 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 1.0 110.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.418 ' HB3' ' H2 ' ' A' ' 1' ' ' MET . 1.7 t -42.55 148.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 1.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.05 26.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 1.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -86.32 167.76 14.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 1.0 109.584 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -125.28 -71.34 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.137 . . . . 1.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.481 ' O ' ' CD ' ' A' ' 28' ' ' ARG . 83.7 m-20 -57.18 90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 1.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 166.06 151.71 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 1.0 110.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 130.35 13.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.473 1.775 . . . . 1.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 10' ' ' ALA . 16.9 tp -90.68 130.11 36.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 1.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.887 ' HD2' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -114.66 167.39 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 1.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.577 ' HB ' ' CD1' ' A' ' 9' ' ' TYR . 0.1 OUTLIER -116.03 168.53 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 1.0 109.369 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 34' ' ' LYS . 1.7 tm? -166.74 150.83 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.83 ' N ' HD13 ' A' ' 33' ' ' LEU . 11.2 ptmt -138.37 154.85 74.01 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 1.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 160.15 40.4 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.392 1.733 . . . . 1.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -137.78 -155.34 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 1.0 110.343 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.58 13.78 82.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 1.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.0 OUTLIER -39.44 -52.43 4.51 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 1.0 110.358 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 38' ' ' ARG . 18.2 Cg_endo -75.02 155.03 42.8 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 1.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 39' ' ' PRO . 18.4 Cg_endo -75.0 -44.64 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.828 . . . . 1.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.6 m 58.89 101.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 1.0 110.38 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 1.0 110.405 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.871 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.4 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.454 0.169 . . . . 1.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 87.6 t -135.81 156.83 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 1.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.927 HG13 ' O ' ' A' ' 7' ' ' VAL . 75.7 t -135.72 139.05 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 1.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.632 HD12 ' OH ' ' A' ' 9' ' ' TYR . 3.8 mt -122.02 100.47 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 64.52 -89.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 1.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' O ' ' CD ' ' A' ' 34' ' ' LYS . . . -120.19 10.09 10.97 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 1.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.927 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 t -99.78 138.04 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -134.39 127.87 32.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 1.0 109.286 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.632 ' OH ' HD12 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -146.61 147.03 30.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 1.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 1' ' ' MET . . . -161.51 176.39 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.1 p -65.73 157.49 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 1.0 108.269 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.67 -11.7 61.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.437 1.085 . . . . 1.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.486 ' OG ' ' CZ ' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -100.38 24.88 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 1.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.505 ' HB3' ' CA ' ' A' ' 20' ' ' ALA . 22.9 m -146.53 -57.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 108.328 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tt -58.82 -25.16 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 1.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -91.66 -19.3 22.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.461 1.101 . . . . 1.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CB ' ' A' ' 18' ' ' HIS . 36.0 t -98.58 -77.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 1.0 110.022 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CB ' ' O ' ' A' ' 17' ' ' SER . 2.1 t60 158.14 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 1.0 109.607 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' C ' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -53.7 -19.5 4.19 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 1.0 109.254 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.871 ' HB1' ' SD ' ' A' ' 1' ' ' MET . . . -44.28 -26.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 1.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -37.63 -32.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 20' ' ' ALA . 3.8 mm-40 -155.94 39.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.422 1.076 . . . . 1.0 110.349 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 1' ' ' MET . 0.8 OUTLIER -47.77 151.6 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 1.0 108.32 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' N ' ' SG ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -156.61 24.59 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -84.14 152.49 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.31 -38.3 7.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -80.1 -179.87 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.431 1.082 . . . . 1.0 109.272 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.486 ' CZ ' ' OG ' ' A' ' 13' ' ' SER . 0.0 OUTLIER 78.65 151.9 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 1.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 28' ' ' ARG . 18.5 Cg_endo -75.0 135.46 19.11 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.433 1.754 . . . . 1.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 30' ' ' LEU . 8.2 tp -87.09 151.24 23.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 1.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.01 160.83 38.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 1.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -132.24 168.11 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 1.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.786 ' N ' HD12 ' A' ' 32' ' ' ILE . 0.0 OUTLIER 175.58 175.85 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 1.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 6' ' ' GLY . 2.2 ttpm? -165.92 90.43 0.87 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.459 ' HD2' ' CE ' ' A' ' 8' ' ' LYS . 18.4 Cg_endo -75.05 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 1.0 111.048 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.84 -76.55 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 110.3 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.18 -92.63 1.66 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.563 1.165 . . . . 1.0 111.009 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.3 ptt85 171.4 149.78 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 1.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.41 22.69 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.494 1.786 . . . . 1.0 111.023 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 151.41 39.23 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 1.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.559 HG23 ' H ' ' A' ' 42' ' ' THR . 0.2 OUTLIER -140.28 -58.57 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 1.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.559 ' H ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 110.355 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 1.8 ppp? . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.442 0.163 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.05 158.3 36.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.597 1.186 . . . . 1.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 7' ' ' VAL . 89.1 t -143.02 141.54 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 1.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 9' ' ' TYR . 3.4 mp -137.3 124.22 29.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 1.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.401 ' CG ' ' N ' ' A' ' 6' ' ' GLY . 9.9 t30 60.65 -89.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 1.0 109.342 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' N ' ' CG ' ' A' ' 5' ' ' ASN . . . -139.4 25.45 2.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 1.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.897 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.0 t -117.79 153.44 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 1.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' C ' ' CD1' ' A' ' 9' ' ' TYR . 12.5 mttm -128.51 150.17 50.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 1.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 8' ' ' LYS . 1.8 m-85 -147.87 170.67 17.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.959 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . . . -177.85 167.57 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.581 1.175 . . . . 1.0 109.279 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p -70.81 155.81 40.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 108.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.4 t0 -58.18 -21.41 47.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.256 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.77 22.3 7.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 1.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 5.0 m -139.9 -70.19 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 1.0 108.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 10' ' ' ALA . 2.7 tt -58.96 -24.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 1.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -93.74 -20.14 20.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 1.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.537 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 84.0 p -102.51 -77.8 0.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 1.0 110.084 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 17' ' ' SER . 2.1 p80 159.65 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 1.0 109.64 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -51.97 -19.71 1.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 1.0 109.243 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 14' ' ' CYS . . . -38.23 -31.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 1.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' ALA . . . -36.25 -49.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -136.77 45.19 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 1.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 3.5 t -41.42 149.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 1.0 108.283 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -160.88 27.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 1.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.79 162.7 14.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 1.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 -67.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 28' ' ' ARG . 5.9 m-20 -76.19 114.77 15.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 1.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.0 OUTLIER 158.84 151.52 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 110.285 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' NE ' ' A' ' 28' ' ' ARG . 18.3 Cg_endo -75.01 130.93 13.72 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.437 1.756 . . . . 1.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 tp -89.68 156.55 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.138 . . . . 1.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.27 162.13 35.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 1.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.57 ' HB ' ' CE2' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -111.19 164.77 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 1.0 109.241 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.689 ' HB2' HD11 ' A' ' 15' ' ' ILE . 0.0 OUTLIER 175.87 175.71 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 1.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER 164.08 -52.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 18.2 Cg_endo -75.02 120.65 6.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.566 1.824 . . . . 1.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.7 178.64 2.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 110.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.21 154.19 19.45 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.49 1.119 . . . . 1.0 111.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 66.44 67.55 0.67 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 1.0 110.27 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 157.76 42.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.453 1.765 . . . . 1.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -0.04 9.5 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.462 1.769 . . . . 1.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.12 -51.49 31.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 1.0 110.423 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 42' ' ' THR . 65.1 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_