data_1h7j_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 1h7j _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 ' 2' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.1 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . 42.34 63.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.26 -54.77 4.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.01 -50.97 10.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.23 -41.34 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -77.4 -39.98 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -91.31 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -58.6 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -130.42 59.19 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.4 -53.98 3.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.303 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 89.21 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.65 -29.42 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.29 -57.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.15 59.09 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 mt -137.39 48.02 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.85 -23.12 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.64 -22.64 45.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 64.59 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.57 59.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.08 63.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.63 -45.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.8 mtt -88.82 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -47.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -55.69 -59.66 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.02 -27.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -56.67 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -164.47 150.34 9.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -84.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.01 -30.45 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m 56.72 40.79 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.86 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 -59.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.79 119.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.56 -49.31 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -117.4 52.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.5 57.24 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.8 -48.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . -73.3 -56.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpp -37.77 -36.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 45.7 mt -94.73 -61.33 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 38.54 64.81 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -28.95 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.51 65.66 5.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.94 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.32 -95.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 167.04 -31.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.3 -36.79 0.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -59.2 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -46.77 -25.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.38 96.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 78.36 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.09 54.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.25 -72.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.88 -44.79 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -46.67 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.94 33.07 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.73 49.46 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 11' ' ' CYS . 12.1 tpt180 -89.05 124.7 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.48 28.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' ' C ' ' A' ' 9' ' ' ARG . 98.5 m 46.96 88.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.252 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.12 -30.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.79 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.03 50.28 2.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.5 -54.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.88 -26.24 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.68 -25.89 59.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.27 83.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.5 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . -106.41 47.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.15 58.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.3 -47.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.8 mtm -88.49 38.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.1 mt -151.27 -47.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -117.9 60.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -19.3 65.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' CYS . 14.9 m -138.97 32.57 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' SER . 31.0 p 39.18 65.06 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 62.05 5.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 41.5 t -158.89 -45.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.5 m 40.99 41.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 58.88 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.27 49.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.78 -19.17 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.6 -24.14 47.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 67.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.34 58.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . -98.25 -52.84 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.91 -46.87 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.9 ttt -42.82 -39.39 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.48 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 42.67 67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -112.52 -26.43 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -55.95 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.96 150.38 97.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.1 t -110.99 -30.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p 38.81 76.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.4 54.79 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 1.5 mp -127.84 33.13 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.17 -21.34 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.65 -43.4 15.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' CD2' ' A' ' 21' ' ' LEU . 23.7 pttt -80.9 -15.9 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.269 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 5' ' ' ALA . . . -117.65 13.73 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 40.45 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 3' ' ' ALA . . . -160.31 -47.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.8 ttm -80.91 -40.21 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.53 -27.46 17.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.25 81.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' N ' HD12 ' A' ' 7' ' ' LEU . 11.2 ttt-85 -68.45 -30.67 69.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.78 41.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t 43.2 76.65 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.14 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.68 -24.02 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.39 -52.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.63 -57.04 2.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tp 40.58 67.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -25.9 10.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.43 81.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 -16.12 19.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.488 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . -98.22 53.08 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.85 59.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.18 -43.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.2 mtt -89.09 37.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -149.21 -48.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 2.4 pp -105.69 49.8 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -23.85 59.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.46 55.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -70.25 -53.98 9.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.59 -30.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.01 -53.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 42.22 37.28 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.15 69.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.2 mt -122.0 -97.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.71 -21.85 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -85.54 -32.3 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 94.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.72 57.43 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.4 -53.37 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -41.34 -55.63 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 ttt -42.84 -41.84 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.9 64.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.9 46.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -111.19 -26.87 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -58.23 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m 63.11 151.28 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.14 5.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.84 -26.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.1 m 63.1 40.77 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.22 94.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.85 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.59 -22.29 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.97 -18.45 79.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -148.48 73.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.29 60.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.01 -61.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.03 -38.84 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -39.3 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -122.68 50.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -52.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -40.61 -29.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 p -130.47 61.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -72.57 -54.0 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 104.93 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.63 15.96 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' PRO . 5.0 t -38.28 -50.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.39 61.85 1.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -150.72 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.59 -25.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -49.18 -46.06 34.37 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.53 33.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.87 68.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.41 39.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.75 -47.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -160.36 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.18 57.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -15.31 32.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -169.01 67.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -53.66 150.34 13.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 14' ' ' LEU . 76.9 t -140.64 -95.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m 66.32 39.86 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.94 -60.55 4.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 51.0 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -115.63 103.58 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.28 -20.94 9.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 28.93 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.352 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.24 52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' ARG . . . -172.41 -49.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.7 ttm -44.48 -41.33 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.37 -50.44 14.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -92.47 44.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.5 ttt-85 -71.38 -28.49 64.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -64.45 -56.03 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 52.27 69.88 2.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 69.75 5.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -94.48 -25.84 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -38.23 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.1 -54.65 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CG1' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 46.54 67.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.16 32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.81 -44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 32.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 57.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 178.62 55.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 178.75 -52.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -52.08 65.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -51.05 70.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.28 51.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -25.57 67.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.8 p -143.91 -58.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 150.68 51.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.97 -30.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER 167.05 -80.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.501 ' N ' ' CG2' ' A' ' 19' ' ' THR . . . 82.38 -49.15 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -44.26 -67.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER 68.09 -96.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.39 -24.92 1.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -36.06 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 96.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 45.96 58.25 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.26 40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -42.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -108.98 26.54 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -93.89 38.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t 68.44 57.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 m 44.0 81.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -43.72 -29.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.84 -37.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.14 47.34 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -120.09 -58.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -25.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -56.19 -32.93 60.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.86 80.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.48 58.59 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.95 -53.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -42.24 -33.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 ttt -81.26 -44.3 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -17.69 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 1.9 pp -111.41 56.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -57.68 117.52 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m 48.11 24.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.5 m 63.3 151.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.31 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.757 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.65 -95.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.2 p 38.96 74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 60.69 0.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.51 -68.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tt -40.58 104.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.15 -49.21 0.76 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.31 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.17 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.1 p -164.62 -157.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.483 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . 42.34 63.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.26 -54.77 4.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.01 -50.97 10.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.23 -41.34 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -77.4 -39.98 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -91.31 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -58.6 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -130.42 59.19 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.4 -53.98 3.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.303 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 89.21 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.65 -29.42 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -56.18 -59.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 p -40.34 132.65 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 69.28 64.76 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.67 86.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.91 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.29 -57.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.15 59.09 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 mt -137.39 48.02 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.85 -23.12 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.64 -22.64 45.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 64.59 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.84 -7.17 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.528 0.204 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.4 m -104.24 109.01 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.57 59.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.08 63.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.63 -45.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 45.8 mtt -88.82 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.48 -47.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -55.69 -59.66 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.02 -27.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -56.67 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -164.47 150.34 9.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -84.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.01 -30.45 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.94 97.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.2 p -87.11 110.17 19.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -77.78 81.79 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.73 85.77 0.39 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.93 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.2 m 56.72 40.79 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.86 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 -59.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.79 119.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.56 -49.31 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -117.4 52.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.523 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 3.1 t -97.2 -7.03 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' OXT' ' O ' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.527 0.203 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.19 111.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.5 57.24 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.8 -48.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 8' ' ' LEU . . . -73.3 -56.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpp -37.77 -36.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 45.7 mt -94.73 -61.33 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 38.54 64.81 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -28.95 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.51 65.66 5.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.94 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 76.2 t -125.32 -95.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 tp 47.15 53.94 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.5 p -169.56 160.2 8.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -119.07 65.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.73 95.65 0.17 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.95 -69.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 167.04 -31.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.3 -36.79 0.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -59.2 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -46.77 -25.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.38 96.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 78.36 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.58 -7.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.331 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.472 0.177 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.474 ' CG2' ' C ' ' A' ' 1' ' ' MET . 1.9 t -152.6 143.84 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -141.09 54.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.25 -72.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.88 -44.79 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.55 -46.67 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.94 33.07 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -143.73 49.46 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 11' ' ' CYS . 12.1 tpt180 -89.05 124.7 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.48 28.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' ' C ' ' A' ' 9' ' ' ARG . 98.5 m 46.96 88.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.252 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.12 -30.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp -173.35 -62.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.19 112.93 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -83.43 150.65 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.17 -152.19 1.16 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -70.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.79 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.03 50.28 2.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.5 -54.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.88 -26.24 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.68 -25.89 59.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.27 83.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.38 -7.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.523 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.5 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -166.56 -157.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.5 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . -106.41 47.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.15 58.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.3 -47.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.8 mtm -88.49 38.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.1 mt -151.27 -47.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' HA ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -117.9 60.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -19.3 65.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' CYS . 14.9 m -138.97 32.57 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' SER . 31.0 p 39.18 65.06 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' O ' ' CG2' ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 62.05 5.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 12' ' ' PRO . 41.5 t -158.89 -45.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp 77.75 -56.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.5 -60.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 162.23 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.69 66.24 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.07 14.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.5 m 40.99 41.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 58.88 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.27 49.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.78 -19.17 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.6 -24.14 47.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 67.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.85 -6.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 1.0 109.308 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.494 0.188 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.25 114.08 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.34 58.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . -98.25 -52.84 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.91 -46.87 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.9 ttt -42.82 -39.39 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -105.48 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 42.67 67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -112.52 -26.43 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -55.95 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.96 150.38 97.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.1 t -110.99 -30.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -174.28 -67.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.72 -57.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -52.01 155.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.92 164.62 30.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.43 1.753 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p 38.81 76.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.4 54.79 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 1.5 mp -127.84 33.13 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.714 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -110.17 -21.34 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.65 -43.4 15.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' CD2' ' A' ' 21' ' ' LEU . 23.7 pttt -80.9 -15.9 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 26' ' ' ALA . 95.2 t -105.72 -107.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.714 ' OXT' ' O ' ' A' ' 22' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 1.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.454 0.168 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.94 116.65 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 5' ' ' ALA . . . -117.65 13.73 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 40.45 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 3' ' ' ALA . . . -160.31 -47.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.8 ttm -80.91 -40.21 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.53 -27.46 17.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.25 81.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' N ' HD12 ' A' ' 7' ' ' LEU . 11.2 ttt-85 -68.45 -30.67 69.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.78 41.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.7 t 43.2 76.65 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 85.14 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.68 -24.02 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp 52.1 94.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -145.7 74.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -64.28 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.59 -169.82 21.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 -40.35 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.39 -52.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.63 -57.04 2.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tp 40.58 67.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -109.26 -25.9 10.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.43 81.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 -16.12 19.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 26' ' ' ALA . 97.0 t -108.81 -107.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.529 0.204 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.488 ' CG1' ' N ' ' A' ' 3' ' ' ALA . 1.1 p -170.36 -157.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.488 ' N ' ' CG1' ' A' ' 2' ' ' VAL . . . -98.22 53.08 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.85 59.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.18 -43.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.2 mtt -89.09 37.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -149.21 -48.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 2.4 pp -105.69 49.8 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -23.85 59.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.46 55.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -70.25 -53.98 9.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.59 -30.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp 56.74 89.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.88 125.3 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -44.28 -62.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.55 94.73 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.01 -53.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.01 -53.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 42.22 37.28 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mt -128.15 69.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 10.2 mt -122.0 -97.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.71 -21.85 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -85.54 -32.3 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' LEU . 94.9 t -105.51 -107.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.534 0.207 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -95.77 -156.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.72 57.43 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.4 -53.37 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -41.34 -55.63 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 ttt -42.84 -41.84 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.9 64.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.9 46.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -111.19 -26.87 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -58.23 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m 63.11 151.28 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.14 5.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.84 -26.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 p 58.68 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.98 136.46 56.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.58 171.47 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.72 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.1 m 63.1 40.77 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.22 94.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.85 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.59 -22.29 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.97 -18.45 79.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -148.48 73.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.29 -107.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.281 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.05 111.29 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.29 60.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.01 -61.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.03 -38.84 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -39.3 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -122.68 50.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -52.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -40.61 -29.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 p -130.47 61.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -72.57 -54.0 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 104.93 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.63 15.96 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp -128.07 76.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -107.01 87.59 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -74.46 155.13 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.32 161.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.06 0.31 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 18' ' ' PRO . 5.0 t -38.28 -50.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.39 61.85 1.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -150.72 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 tt -46.59 -25.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -49.18 -46.06 34.37 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.53 33.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.84 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 97.1 t -123.12 -107.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.84 ' OXT' ' O ' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.494 0.188 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -112.6 111.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.87 68.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.41 39.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.75 -47.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.38 39.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -160.36 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp -120.18 57.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -15.31 32.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -169.01 67.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -53.66 150.34 13.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 14' ' ' LEU . 76.9 t -140.64 -95.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' N ' HG13 ' A' ' 13' ' ' VAL . 0.9 OUTLIER 77.75 -56.29 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.09 157.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 65.19 161.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.08 -84.52 1.43 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -46.85 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m 66.32 39.86 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.94 -60.55 4.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 51.0 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -115.63 103.58 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.28 -20.94 9.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 28.93 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.37 -107.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.523 0.202 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.47 120.74 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.24 52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' ARG . . . -172.41 -49.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.7 ttm -44.48 -41.33 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.37 -50.44 14.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -92.47 44.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.5 ttt-85 -71.38 -28.49 64.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -64.45 -56.03 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 52.27 69.88 2.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 69.75 5.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -94.48 -25.84 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.1 -58.47 2.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.27 135.67 53.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -167.47 72.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.93 167.42 29.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.25 9.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -38.23 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.1 -54.65 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CG1' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 46.54 67.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.16 32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.81 -44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 32.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m -103.41 -107.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.372 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.476 0.179 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -116.72 113.15 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 57.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 178.62 55.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 178.75 -52.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -52.08 65.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -51.05 70.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.28 51.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -25.57 67.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.8 p -143.91 -58.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 150.68 51.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.97 -30.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tp -174.89 -53.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -179.85 136.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 64.47 139.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.17 157.5 22.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.0 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' CG2' ' N ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER 167.05 -80.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.501 ' N ' ' CG2' ' A' ' 19' ' ' THR . . . 82.38 -49.15 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -44.26 -67.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER 68.09 -96.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.39 -24.92 1.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -36.06 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 26' ' ' ALA . 96.3 t -115.91 -107.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.531 0.205 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.2 110.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 45.96 58.25 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.26 40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -42.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -108.98 26.54 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -93.89 38.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t 68.44 57.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 m 44.0 81.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -43.72 -29.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp 62.36 77.59 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -132.98 78.48 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -94.41 142.76 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 172.31 47.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -70.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.769 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.84 -37.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.14 47.34 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -120.09 -58.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -25.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -56.19 -32.93 60.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.86 80.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.32 -107.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.2 m -104.27 109.0 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.48 58.59 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.95 -53.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -42.24 -33.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 ttt -81.26 -44.3 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -17.69 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 8' ' ' LEU . 1.9 pp -111.41 56.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -57.68 117.52 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m 48.11 24.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.5 m 63.3 151.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.31 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.757 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -136.65 -95.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.0 tp -144.62 61.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -112.39 108.29 17.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.57 96.43 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.06 171.64 43.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -41.53 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.2 p 38.96 74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 60.69 0.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.51 -68.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tt -40.58 104.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.15 -49.21 0.76 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.31 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.41 -107.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.311 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.714 ' N ' HG13 ' A' ' 2' ' ' VAL . . . 42.34 63.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.26 -54.77 4.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.01 -50.97 10.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.23 -41.34 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -77.4 -39.98 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -91.31 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -58.6 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -130.42 59.19 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.4 -53.98 3.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.303 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 89.21 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.65 -29.42 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.29 -57.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.15 59.09 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 25' ' ' VAL . 9.4 mt -137.39 48.02 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.85 -23.12 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.64 -22.64 45.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 64.59 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.4 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.57 59.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.08 63.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.63 -45.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.698 ' C ' HD23 ' A' ' 7' ' ' LEU . 45.8 mtt -88.82 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.698 HD23 ' C ' ' A' ' 6' ' ' MET . 0.1 OUTLIER -154.48 -47.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.69 -59.66 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.02 -27.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -56.67 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -164.47 150.34 9.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -84.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.01 -30.45 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 38.2 m 56.72 40.79 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.86 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 -59.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.79 119.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.56 -49.31 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -117.4 52.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.5 57.24 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.8 -48.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.84 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -73.3 -56.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpp -37.77 -36.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 45.7 mt -94.73 -61.33 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.9 OUTLIER 38.54 64.81 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -28.95 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.51 65.66 5.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.94 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.2 t -125.32 -95.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.53 ' N ' HG12 ' A' ' 13' ' ' VAL . 23.5 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 167.04 -31.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.3 -36.79 0.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -59.2 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt -46.77 -25.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.38 96.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 78.36 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 6' ' ' MET . . . -141.09 54.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.486 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -64.25 -72.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.88 -44.79 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.454 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.55 -46.67 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.94 33.07 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 4' ' ' ALA . 1.6 mt -143.73 49.46 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 11' ' ' CYS . 12.1 tpt180 -89.05 124.7 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.48 28.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' ' C ' ' A' ' 9' ' ' ARG . 98.5 m 46.96 88.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.252 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.12 -30.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.597 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.79 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.03 50.28 2.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.5 -54.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.88 -26.24 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.68 -25.89 59.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.27 83.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.74 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -106.41 47.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.15 58.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.3 -47.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.8 mtm -88.49 38.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.1 mt -151.27 -47.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -117.9 60.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -19.3 65.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' CYS . 14.9 m -138.97 32.57 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' SER . 31.0 p 39.18 65.06 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.63 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 62.05 5.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 12' ' ' PRO . 41.5 t -158.89 -45.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 41.5 m 40.99 41.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 58.88 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.7 mm? -91.27 49.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.78 -19.17 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.6 -24.14 47.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 67.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 7' ' ' LEU . . . -161.34 58.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . -98.25 -52.84 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.91 -46.87 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.9 ttt -42.82 -39.39 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD12 ' HB1' ' A' ' 3' ' ' ALA . 6.0 mt -105.48 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 42.67 67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -112.52 -26.43 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -55.95 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.96 150.38 97.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.1 t -110.99 -30.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p 38.81 76.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.4 54.79 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 1.5 mp -127.84 33.13 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -110.17 -21.34 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.65 -43.4 15.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HE2' ' CD2' ' A' ' 21' ' ' LEU . 23.7 pttt -80.9 -15.9 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.269 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 5' ' ' ALA . . . -117.65 13.73 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 12' ' ' PRO . . . 40.45 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 3' ' ' ALA . . . -160.31 -47.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.417 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.8 ttm -80.91 -40.21 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.784 HD22 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.53 -27.46 17.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 51.25 81.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' N ' HD13 ' A' ' 7' ' ' LEU . 11.2 ttt-85 -68.45 -30.67 69.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.78 41.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.743 ' H ' HD23 ' A' ' 8' ' ' LEU . 3.7 t 43.2 76.65 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 85.14 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.68 -24.02 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.39 -52.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.63 -57.04 2.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tp 40.58 67.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -25.9 10.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.43 81.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 -16.12 19.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.723 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -98.22 53.08 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.85 59.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.18 -43.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.2 mtt -89.09 37.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -149.21 -48.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.85 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.4 pp -105.69 49.8 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -23.85 59.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.46 55.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -70.25 -53.98 9.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.59 -30.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.01 -53.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 42.22 37.28 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB3' HG21 ' A' ' 25' ' ' VAL . 5.7 mt -128.15 69.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 22' ' ' LEU . 10.2 mt -122.0 -97.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.71 -21.85 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -85.54 -32.3 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 21' ' ' LEU . 94.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.72 57.43 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.4 -53.37 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -41.34 -55.63 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 ttt -42.84 -41.84 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.9 64.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -87.9 46.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -111.19 -26.87 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -58.23 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m 63.11 151.28 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.14 5.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.84 -26.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 19' ' ' THR . 96.1 m 63.1 40.77 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.22 94.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.85 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.0 mt -52.59 -22.29 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.97 -18.45 79.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -148.48 73.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB1' ' SD ' ' A' ' 6' ' ' MET . . . -108.29 60.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.01 -61.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.03 -38.84 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.414 ' SD ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.4 -39.3 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -122.68 50.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -150.06 -52.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -40.61 -29.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 p -130.47 61.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -72.57 -54.0 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 104.93 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.63 15.96 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 5.0 t -38.28 -50.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' N ' HG23 ' A' ' 19' ' ' THR . . . 38.39 61.85 1.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -150.72 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.2 tt -46.59 -25.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -49.18 -46.06 34.37 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.53 33.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.87 68.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.41 39.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.75 -47.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.48 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.38 39.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.768 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -160.36 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.6 pp -120.18 57.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -15.31 32.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -169.01 67.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -53.66 150.34 13.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.9 t -140.64 -95.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m 66.32 39.86 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.94 -60.55 4.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 51.0 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -115.63 103.58 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.28 -20.94 9.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 28.93 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.352 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.24 52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' ARG . . . -172.41 -49.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.7 ttm -44.48 -41.33 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.37 -50.44 14.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -92.47 44.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.5 ttt-85 -71.38 -28.49 64.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -64.45 -56.03 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 52.27 69.88 2.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 69.75 5.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -94.48 -25.84 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -38.23 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.1 -54.65 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CG1' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 46.54 67.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.16 32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.81 -44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 32.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 4' ' ' ALA . . . -77.79 57.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 3' ' ' ALA . . . 178.62 55.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 178.75 -52.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -52.08 65.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -51.05 70.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.28 51.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -25.57 67.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.8 p -143.91 -58.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 150.68 51.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.97 -30.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER 167.05 -80.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.723 ' N ' HG22 ' A' ' 19' ' ' THR . . . 82.38 -49.15 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.547 HD23 HG23 ' A' ' 25' ' ' VAL . 7.4 mp -44.26 -67.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER 68.09 -96.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.39 -24.92 1.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -36.06 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.547 HG23 HD23 ' A' ' 21' ' ' LEU . 96.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 45.96 58.25 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 8' ' ' LEU . . . -91.26 40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -42.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -108.98 26.54 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 5' ' ' ALA . 1.7 pt? -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -93.89 38.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t 68.44 57.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 m 44.0 81.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -43.72 -29.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.582 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.582 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.84 -37.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.14 47.34 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -120.09 -58.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -25.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -56.19 -32.93 60.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.86 80.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.4 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.2 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.48 58.59 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.95 -53.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -42.24 -33.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 ttt -81.26 -44.3 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -17.69 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.9 pp -111.41 56.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -57.68 117.52 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m 48.11 24.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.5 m 63.3 151.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.31 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.757 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 14' ' ' LEU . 61.6 t -136.65 -95.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' N ' HG12 ' A' ' 13' ' ' VAL . 6.0 tp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.2 p 38.96 74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 60.69 0.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.51 -68.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tt -40.58 104.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.15 -49.21 0.76 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.31 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.17 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p -164.62 -157.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.714 ' N ' HG13 ' A' ' 2' ' ' VAL . . . 42.34 63.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.26 -54.77 4.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.01 -50.97 10.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.23 -41.34 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -77.4 -39.98 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -91.31 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -58.6 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -130.42 59.19 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.4 -53.98 3.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.303 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 89.21 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.65 -29.42 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.2 tt -56.18 -59.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 p -40.34 132.65 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 69.28 64.76 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.67 86.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.91 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.29 -57.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.15 59.09 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 25' ' ' VAL . 9.4 mt -137.39 48.02 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.85 -23.12 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.64 -22.64 45.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 64.59 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t -71.84 -7.17 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.528 0.204 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.4 m -104.24 109.01 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.57 59.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.08 63.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.63 -45.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.698 ' C ' HD23 ' A' ' 7' ' ' LEU . 45.8 mtt -88.82 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD23 ' C ' ' A' ' 6' ' ' MET . 0.1 OUTLIER -154.48 -47.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.69 -59.66 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.02 -27.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -56.67 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -164.47 150.34 9.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -84.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.01 -30.45 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.94 97.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.2 p -87.11 110.17 19.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -77.78 81.79 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.73 85.77 0.39 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.93 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 38.2 m 56.72 40.79 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.86 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 -59.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.79 119.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.56 -49.31 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -117.4 52.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.523 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 3.1 t -97.2 -7.03 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' OXT' ' O ' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.527 0.203 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.19 111.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.5 57.24 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.8 -48.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.84 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -73.3 -56.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpp -37.77 -36.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 45.7 mt -94.73 -61.33 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.9 OUTLIER 38.54 64.81 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -28.95 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.51 65.66 5.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.94 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.2 t -125.32 -95.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.53 ' N ' HG12 ' A' ' 13' ' ' VAL . 23.5 tp 47.15 53.94 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.5 p -169.56 160.2 8.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -119.07 65.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.73 95.65 0.17 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.95 -69.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 167.04 -31.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.3 -36.79 0.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -59.2 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt -46.77 -25.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.38 96.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -155.86 78.36 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.58 -7.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.472 0.177 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.474 ' CG2' ' C ' ' A' ' 1' ' ' MET . 1.9 t -152.6 143.84 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 6' ' ' MET . . . -141.09 54.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -64.25 -72.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.88 -44.79 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.454 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.55 -46.67 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.94 33.07 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 4' ' ' ALA . 1.6 mt -143.73 49.46 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 11' ' ' CYS . 12.1 tpt180 -89.05 124.7 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.48 28.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' ' C ' ' A' ' 9' ' ' ARG . 98.5 m 46.96 88.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.252 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.12 -30.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp -173.35 -62.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.19 112.93 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -83.43 150.65 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.17 -152.19 1.16 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -70.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.597 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.79 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.03 50.28 2.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.5 -54.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.88 -26.24 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.68 -25.89 59.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.27 83.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.38 -7.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.523 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -166.56 -157.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.74 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -106.41 47.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.15 58.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.3 -47.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.8 mtm -88.49 38.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.1 mt -151.27 -47.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -117.9 60.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -19.3 65.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' CYS . 14.9 m -138.97 32.57 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' SER . 31.0 p 39.18 65.06 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.63 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 62.05 5.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 12' ' ' PRO . 41.5 t -158.89 -45.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp 77.75 -56.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.5 -60.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 162.23 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.69 66.24 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.07 14.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 41.5 m 40.99 41.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 58.88 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.7 mm? -91.27 49.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.78 -19.17 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.6 -24.14 47.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 67.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t -71.85 -6.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 1.0 109.308 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.494 0.188 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.25 114.08 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 7' ' ' LEU . . . -161.34 58.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . -98.25 -52.84 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.91 -46.87 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.9 ttt -42.82 -39.39 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD12 ' HB1' ' A' ' 3' ' ' ALA . 6.0 mt -105.48 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 42.67 67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -112.52 -26.43 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -55.95 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.96 150.38 97.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.1 t -110.99 -30.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -174.28 -67.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.72 -57.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -52.01 155.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.92 164.62 30.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.43 1.753 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p 38.81 76.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.4 54.79 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 1.5 mp -127.84 33.13 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.714 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -110.17 -21.34 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.65 -43.4 15.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HE2' ' CD2' ' A' ' 21' ' ' LEU . 23.7 pttt -80.9 -15.9 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 26' ' ' ALA . 95.2 t -105.72 -107.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.714 ' OXT' ' O ' ' A' ' 22' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 1.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.454 0.168 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.94 116.65 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 5' ' ' ALA . . . -117.65 13.73 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 12' ' ' PRO . . . 40.45 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 3' ' ' ALA . . . -160.31 -47.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.417 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.8 ttm -80.91 -40.21 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.784 HD22 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.53 -27.46 17.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 51.25 81.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' N ' HD13 ' A' ' 7' ' ' LEU . 11.2 ttt-85 -68.45 -30.67 69.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.78 41.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' H ' HD23 ' A' ' 8' ' ' LEU . 3.7 t 43.2 76.65 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 85.14 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.68 -24.02 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp 52.1 94.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -145.7 74.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -64.28 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.59 -169.82 21.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 -40.35 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.39 -52.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.63 -57.04 2.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tp 40.58 67.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -109.26 -25.9 10.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.43 81.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 -16.12 19.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 26' ' ' ALA . 97.0 t -108.81 -107.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' N ' HG12 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.529 0.204 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p -170.36 -157.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.723 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -98.22 53.08 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.85 59.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.18 -43.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.2 mtt -89.09 37.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -149.21 -48.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.85 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.4 pp -105.69 49.8 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -23.85 59.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.46 55.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -70.25 -53.98 9.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.59 -30.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp 56.74 89.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.88 125.3 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -44.28 -62.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.55 94.73 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.01 -53.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.01 -53.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 42.22 37.28 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB3' HG21 ' A' ' 25' ' ' VAL . 5.7 mt -128.15 69.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 22' ' ' LEU . 10.2 mt -122.0 -97.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.71 -21.85 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -85.54 -32.3 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 26' ' ' ALA . 94.9 t -105.51 -107.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.534 0.207 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -95.77 -156.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.72 57.43 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.4 -53.37 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -41.34 -55.63 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 ttt -42.84 -41.84 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.9 64.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -87.9 46.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -111.19 -26.87 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -58.23 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m 63.11 151.28 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.14 5.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.84 -26.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 p 58.68 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.98 136.46 56.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.58 171.47 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.72 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 19' ' ' THR . 96.1 m 63.1 40.77 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.22 94.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.85 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.0 mt -52.59 -22.29 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.97 -18.45 79.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -148.48 73.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.29 -107.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.05 111.29 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB1' ' SD ' ' A' ' 6' ' ' MET . . . -108.29 60.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.01 -61.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.03 -38.84 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.414 ' SD ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.4 -39.3 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -122.68 50.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -150.06 -52.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -40.61 -29.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 p -130.47 61.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -72.57 -54.0 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 104.93 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.63 15.96 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp -128.07 76.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -107.01 87.59 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -74.46 155.13 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.32 161.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.06 0.31 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 5.0 t -38.28 -50.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' N ' HG23 ' A' ' 19' ' ' THR . . . 38.39 61.85 1.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -150.72 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.2 tt -46.59 -25.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -49.18 -46.06 34.37 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.53 33.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.84 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 97.1 t -123.12 -107.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.84 ' OXT' ' O ' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.494 0.188 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -112.6 111.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.87 68.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.41 39.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.75 -47.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.48 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.38 39.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.768 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -160.36 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.6 pp -120.18 57.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -15.31 32.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -169.01 67.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -53.66 150.34 13.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.9 t -140.64 -95.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER 77.75 -56.29 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.09 157.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 65.19 161.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.08 -84.52 1.43 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -46.85 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m 66.32 39.86 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.94 -60.55 4.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 51.0 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -115.63 103.58 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.28 -20.94 9.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 28.93 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.37 -107.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.523 0.202 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.47 120.74 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.24 52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' ARG . . . -172.41 -49.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.7 ttm -44.48 -41.33 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.37 -50.44 14.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -92.47 44.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.5 ttt-85 -71.38 -28.49 64.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -64.45 -56.03 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 52.27 69.88 2.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 69.75 5.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -94.48 -25.84 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.1 -58.47 2.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.27 135.67 53.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -167.47 72.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.93 167.42 29.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.25 9.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -38.23 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.1 -54.65 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CG1' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 46.54 67.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.16 32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.81 -44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 32.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.466 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.41 -107.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.476 0.179 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -116.72 113.15 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 4' ' ' ALA . . . -77.79 57.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 3' ' ' ALA . . . 178.62 55.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 178.75 -52.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -52.08 65.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -51.05 70.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.28 51.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -25.57 67.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.8 p -143.91 -58.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 150.68 51.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.97 -30.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tp -174.89 -53.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -179.85 136.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 64.47 139.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.17 157.5 22.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.0 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER 167.05 -80.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.723 ' N ' HG22 ' A' ' 19' ' ' THR . . . 82.38 -49.15 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.547 HD23 HG23 ' A' ' 25' ' ' VAL . 7.4 mp -44.26 -67.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER 68.09 -96.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.39 -24.92 1.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -36.06 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 26' ' ' ALA . 96.3 t -115.91 -107.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HB3' ' HB3' ' A' ' 4' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.531 0.205 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.2 110.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 45.96 58.25 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 1' ' ' MET . . . -135.63 -47.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 8' ' ' LEU . . . -91.26 40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -42.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -108.98 26.54 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 5' ' ' ALA . 1.7 pt? -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -93.89 38.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t 68.44 57.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 m 44.0 81.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -43.72 -29.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp 62.36 77.59 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -132.98 78.48 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -94.41 142.76 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 172.31 47.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.582 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -70.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.769 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.582 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.84 -37.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.14 47.34 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -120.09 -58.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -25.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -56.19 -32.93 60.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.86 80.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.4 m -103.32 -107.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.2 m -104.27 109.0 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.48 58.59 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.95 -53.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -42.24 -33.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 ttt -81.26 -44.3 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -17.69 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.9 pp -111.41 56.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -57.68 117.52 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m 48.11 24.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.5 m 63.3 151.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.31 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.757 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 14' ' ' LEU . 61.6 t -136.65 -95.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' N ' HG12 ' A' ' 13' ' ' VAL . 6.0 tp -144.62 61.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -112.39 108.29 17.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.57 96.43 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.06 171.64 43.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -41.53 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.2 p 38.96 74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 60.69 0.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.51 -68.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tt -40.58 104.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.15 -49.21 0.76 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.31 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.41 -107.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.478 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.714 ' N ' HG13 ' A' ' 2' ' ' VAL . . . 42.34 63.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.26 -54.77 4.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.01 -50.97 10.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.23 -41.34 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -77.4 -39.98 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -91.31 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -58.6 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -130.42 59.19 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.4 -53.98 3.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.303 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 89.21 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.65 -29.42 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.29 -57.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.15 59.09 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 25' ' ' VAL . 9.4 mt -137.39 48.02 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.85 -23.12 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.64 -22.64 45.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 64.59 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.4 m . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.57 59.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.08 63.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.63 -45.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.698 ' C ' HD23 ' A' ' 7' ' ' LEU . 45.8 mtt -88.82 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.698 HD23 ' C ' ' A' ' 6' ' ' MET . 0.1 OUTLIER -154.48 -47.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.69 -59.66 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.02 -27.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -56.67 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -164.47 150.34 9.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -84.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.01 -30.45 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 38.2 m 56.72 40.79 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.86 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 -59.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.79 119.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.56 -49.31 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -117.4 52.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.5 57.24 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.8 -48.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.84 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -73.3 -56.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpp -37.77 -36.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 45.7 mt -94.73 -61.33 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.9 OUTLIER 38.54 64.81 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -28.95 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.51 65.66 5.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.94 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.2 t -125.32 -95.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.53 ' N ' HG12 ' A' ' 13' ' ' VAL . 23.5 tp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 167.04 -31.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.3 -36.79 0.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -59.2 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt -46.77 -25.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.38 96.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.86 78.36 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 6' ' ' MET . . . -141.09 54.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.486 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -64.25 -72.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.88 -44.79 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.454 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.55 -46.67 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.94 33.07 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 4' ' ' ALA . 1.6 mt -143.73 49.46 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 11' ' ' CYS . 12.1 tpt180 -89.05 124.7 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.48 28.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' ' C ' ' A' ' 9' ' ' ARG . 98.5 m 46.96 88.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.252 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.12 -30.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.597 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.597 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.79 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.03 50.28 2.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.5 -54.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.88 -26.24 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.68 -25.89 59.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.27 83.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.74 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -106.41 47.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.15 58.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.3 -47.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.8 mtm -88.49 38.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.1 mt -151.27 -47.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -117.9 60.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -19.3 65.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' CYS . 14.9 m -138.97 32.57 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' SER . 31.0 p 39.18 65.06 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.63 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 62.05 5.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 12' ' ' PRO . 41.5 t -158.89 -45.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.917 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 41.5 m 40.99 41.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 58.88 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.7 mm? -91.27 49.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.78 -19.17 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.6 -24.14 47.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 67.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 7' ' ' LEU . . . -161.34 58.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . -98.25 -52.84 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.91 -46.87 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.9 ttt -42.82 -39.39 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD12 ' HB1' ' A' ' 3' ' ' ALA . 6.0 mt -105.48 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 42.67 67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -112.52 -26.43 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -55.95 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.96 150.38 97.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.1 t -110.99 -30.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p 38.81 76.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.4 54.79 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 1.5 mp -127.84 33.13 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.583 ' H ' HD23 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -110.17 -21.34 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.65 -43.4 15.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HE2' ' CD2' ' A' ' 21' ' ' LEU . 23.7 pttt -80.9 -15.9 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.2 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.269 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 5' ' ' ALA . . . -117.65 13.73 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 12' ' ' PRO . . . 40.45 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 3' ' ' ALA . . . -160.31 -47.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.417 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.8 ttm -80.91 -40.21 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.784 HD22 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.53 -27.46 17.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 51.25 81.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' N ' HD13 ' A' ' 7' ' ' LEU . 11.2 ttt-85 -68.45 -30.67 69.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.78 41.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.743 ' H ' HD23 ' A' ' 8' ' ' LEU . 3.7 t 43.2 76.65 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 85.14 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.68 -24.02 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.39 -52.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.63 -57.04 2.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tp 40.58 67.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.26 -25.9 10.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.43 81.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 -16.12 19.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.723 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -98.22 53.08 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.85 59.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.18 -43.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.2 mtt -89.09 37.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -149.21 -48.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.85 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.4 pp -105.69 49.8 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -23.85 59.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.46 55.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -70.25 -53.98 9.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.59 -30.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.951 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.01 -53.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 42.22 37.28 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB3' HG21 ' A' ' 25' ' ' VAL . 5.7 mt -128.15 69.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 22' ' ' LEU . 10.2 mt -122.0 -97.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.71 -21.85 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -85.54 -32.3 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.605 HG21 ' HB3' ' A' ' 21' ' ' LEU . 94.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.72 57.43 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.4 -53.37 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -41.34 -55.63 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 ttt -42.84 -41.84 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.9 64.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -87.9 46.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -111.19 -26.87 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -58.23 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m 63.11 151.28 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.14 5.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.84 -26.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 19' ' ' THR . 96.1 m 63.1 40.77 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.22 94.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.85 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.0 mt -52.59 -22.29 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.97 -18.45 79.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -148.48 73.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB1' ' SD ' ' A' ' 6' ' ' MET . . . -108.29 60.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.01 -61.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.03 -38.84 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.414 ' SD ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.4 -39.3 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -122.68 50.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -150.06 -52.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -40.61 -29.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 p -130.47 61.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -72.57 -54.0 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 104.93 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.63 15.96 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 5.0 t -38.28 -50.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' N ' HG23 ' A' ' 19' ' ' THR . . . 38.39 61.85 1.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -150.72 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.2 tt -46.59 -25.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -49.18 -46.06 34.37 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.53 33.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.87 68.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.41 39.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.75 -47.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.48 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.38 39.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.768 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -160.36 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.6 pp -120.18 57.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -15.31 32.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -169.01 67.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -53.66 150.34 13.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.9 t -140.64 -95.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.034 -0.41 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m 66.32 39.86 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.94 -60.55 4.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 51.0 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -115.63 103.58 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.28 -20.94 9.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 28.93 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.352 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.24 52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' ARG . . . -172.41 -49.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.7 ttm -44.48 -41.33 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.37 -50.44 14.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -92.47 44.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.5 ttt-85 -71.38 -28.49 64.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -64.45 -56.03 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 52.27 69.88 2.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 69.75 5.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -94.48 -25.84 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -38.23 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.1 -54.65 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CG1' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 46.54 67.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.16 32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.81 -44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 32.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.424 ' CG1' ' HG ' ' A' ' 21' ' ' LEU . 1.4 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 4' ' ' ALA . . . -77.79 57.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 3' ' ' ALA . . . 178.62 55.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 178.75 -52.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -52.08 65.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -51.05 70.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.28 51.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -25.57 67.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.8 p -143.91 -58.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 150.68 51.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.97 -30.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER 167.05 -80.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.723 ' N ' HG22 ' A' ' 19' ' ' THR . . . 82.38 -49.15 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.547 HD23 HG23 ' A' ' 25' ' ' VAL . 7.4 mp -44.26 -67.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER 68.09 -96.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.39 -24.92 1.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -36.06 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.547 HG23 HD23 ' A' ' 21' ' ' LEU . 96.3 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 45.96 58.25 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -135.63 -47.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 8' ' ' LEU . . . -91.26 40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -42.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -108.98 26.54 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 5' ' ' ALA . 1.7 pt? -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -93.89 38.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t 68.44 57.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 m 44.0 81.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -43.72 -29.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.582 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.827 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.582 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.84 -37.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.14 47.34 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -120.09 -58.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -25.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -56.19 -32.93 60.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.86 80.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.4 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.2 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.48 58.59 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.95 -53.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -42.24 -33.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 ttt -81.26 -44.3 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -17.69 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.9 pp -111.41 56.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -57.68 117.52 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m 48.11 24.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.5 m 63.3 151.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.31 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.757 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 14' ' ' LEU . 61.6 t -136.65 -95.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' N ' HG12 ' A' ' 13' ' ' VAL . 6.0 tp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.967 -0.436 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.2 p 38.96 74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 60.69 0.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.51 -68.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tt -40.58 104.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.15 -49.21 0.76 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.31 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.456 0.17 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.714 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p -164.62 -157.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.714 ' N ' HG13 ' A' ' 2' ' ' VAL . . . 42.34 63.21 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.26 -54.77 4.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.01 -50.97 10.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.23 -41.34 2.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -77.4 -39.98 45.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.7 OUTLIER -91.31 48.33 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 mtt85 -58.6 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 p -130.42 59.19 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.497 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -74.4 -53.98 3.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.303 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 89.21 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.465 1.771 . . . . 0.0 111.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.65 -29.42 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.2 tt -56.18 -59.93 4.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 p -40.34 132.65 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 69.28 64.76 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.67 86.12 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -74.91 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.29 -57.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.15 59.09 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 25' ' ' VAL . 9.4 mt -137.39 48.02 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.85 -23.12 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -86.64 -22.64 45.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.98 64.59 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t -71.84 -7.17 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 1.0 109.309 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.528 0.204 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.4 m -104.24 109.01 26.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.57 59.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -148.08 63.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.63 -45.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.698 ' C ' HD23 ' A' ' 7' ' ' LEU . 45.8 mtt -88.82 40.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD23 ' C ' ' A' ' 6' ' ' MET . 0.1 OUTLIER -154.48 -47.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -55.69 -59.66 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HG ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -45.02 -27.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -56.67 8.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.0 p -164.47 150.34 9.12 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 108.35 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -84.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.507 1.793 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.9 t -110.01 -30.45 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.94 97.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.2 p -87.11 110.17 19.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -77.78 81.79 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -119.73 85.77 0.39 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -40.93 0.76 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.48 1.779 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 38.2 m 56.72 40.79 28.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.53 60.86 0.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -110.34 -59.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.79 119.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.56 -49.31 0.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -117.4 52.37 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.523 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 3.1 t -97.2 -7.03 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' OXT' ' O ' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 1.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.527 0.203 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.19 111.41 35.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.5 57.24 3.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.8 -48.22 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.84 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -73.3 -56.85 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpp -37.77 -36.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 8' ' ' LEU . 45.7 mt -94.73 -61.33 1.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.9 OUTLIER 38.54 64.81 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -28.95 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 44.51 65.66 5.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 57.94 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.2 t -125.32 -95.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.53 ' N ' HG12 ' A' ' 13' ' ' VAL . 23.5 tp 47.15 53.94 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.5 p -169.56 160.2 8.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -119.07 65.01 0.78 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.73 95.65 0.17 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.5 Cg_endo -74.95 -69.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 167.04 -31.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -39.3 -36.79 0.64 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.035 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -59.2 4.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 22' ' ' LEU . 19.4 mt -46.77 -25.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.38 96.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.489 1.118 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -155.86 78.36 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 0.76 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 t -71.58 -7.05 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 1.0 109.331 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' C ' ' CG2' ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.472 0.177 . . . . 0.0 110.985 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.474 ' CG2' ' C ' ' A' ' 1' ' ' MET . 1.9 t -152.6 143.84 15.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 6' ' ' MET . . . -141.09 54.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -64.25 -72.93 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.88 -44.79 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.454 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.55 -46.67 10.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 mp -108.94 33.07 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.486 HD12 ' C ' ' A' ' 4' ' ' ALA . 1.6 mt -143.73 49.46 1.39 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' N ' ' A' ' 11' ' ' CYS . 12.1 tpt180 -89.05 124.7 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.48 28.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.402 ' N ' ' C ' ' A' ' 9' ' ' ARG . 98.5 m 46.96 88.9 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.252 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.48 5.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -56.12 -30.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.4 tp -173.35 -62.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.19 112.93 18.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -83.43 150.65 25.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.17 -152.19 1.16 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.597 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.05 -70.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.597 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.79 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 38.03 50.28 2.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.5 -54.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.88 -26.24 68.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.68 -25.89 59.3 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -166.27 83.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.284 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.38 -7.14 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 1.0 109.327 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.523 0.202 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.74 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -166.56 -157.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.74 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -106.41 47.89 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.15 58.96 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.3 -47.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.132 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.8 mtm -88.49 38.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.1 mt -151.27 -47.15 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -117.9 60.24 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -19.3 65.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.272 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 11' ' ' CYS . 14.9 m -138.97 32.57 2.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 10' ' ' SER . 31.0 p 39.18 65.06 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 108.314 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.63 ' O ' HG23 ' A' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 62.05 5.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 12' ' ' PRO . 41.5 t -158.89 -45.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp 77.75 -56.19 0.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.5 -60.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -124.38 162.23 24.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.69 66.24 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -4.07 14.87 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 19' ' ' THR . 41.5 m 40.99 41.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.367 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 58.88 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' O ' HG22 ' A' ' 25' ' ' VAL . 2.7 mm? -91.27 49.64 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mt -104.78 -19.17 14.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -84.6 -24.14 47.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.4 67.52 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 21' ' ' LEU . 2.4 t -71.85 -6.94 8.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 1.0 109.308 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.494 0.188 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m -119.25 114.08 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.523 ' HB1' HD12 ' A' ' 7' ' ' LEU . . . -161.34 58.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 8' ' ' LEU . . . -98.25 -52.84 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.91 -46.87 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 10.9 ttt -42.82 -39.39 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD12 ' HB1' ' A' ' 3' ' ' ALA . 6.0 mt -105.48 -58.4 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 42.67 67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 ptt85 -112.52 -26.43 8.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -55.95 21.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -68.96 150.38 97.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 108.271 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.1 t -110.99 -30.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -174.28 -67.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.72 -57.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -52.01 155.97 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.92 164.62 30.1 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.43 1.753 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p 38.81 76.8 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.4 54.79 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' CD2' ' HE2' ' A' ' 24' ' ' LYS . 1.5 mp -127.84 33.13 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.714 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -110.17 -21.34 12.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.65 -43.4 15.11 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HE2' ' CD2' ' A' ' 21' ' ' LEU . 23.7 pttt -80.9 -15.9 55.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.261 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 26' ' ' ALA . 95.2 t -105.72 -107.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.714 ' OXT' ' O ' ' A' ' 22' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 1.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mtt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.454 0.168 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.94 116.65 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 5' ' ' ALA . . . -117.65 13.73 14.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 12' ' ' PRO . . . 40.45 29.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 3' ' ' ALA . . . -160.31 -47.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.417 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.8 ttm -80.91 -40.21 25.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.784 HD22 ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -92.53 -27.46 17.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.743 HD23 ' H ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER 51.25 81.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' N ' HD13 ' A' ' 7' ' ' LEU . 11.2 ttt-85 -68.45 -30.67 69.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 169.78 41.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.743 ' H ' HD23 ' A' ' 8' ' ' LEU . 3.7 t 43.2 76.65 0.51 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.855 ' HG2' ' HB1' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 85.14 1.56 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.6 t -106.68 -24.02 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp 52.1 94.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.3 p -145.7 74.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.45 -64.28 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.59 -169.82 21.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.499 1.124 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.454 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.3 Cg_endo -74.98 -40.35 0.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.39 -52.71 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -40.63 -57.04 2.87 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tp 40.58 67.26 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.746 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.592 HD23 ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -109.26 -25.9 10.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -61.89 -32.43 81.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.44 -16.12 19.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 0.784 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 26' ' ' ALA . 97.0 t -108.81 -107.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' N ' HG12 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 1.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.529 0.204 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 3' ' ' ALA . 1.1 p -170.36 -157.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.723 ' N ' HG13 ' A' ' 2' ' ' VAL . . . -98.22 53.08 1.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.85 59.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.346 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.18 -43.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 37.2 mtt -89.09 37.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.6 mt -149.21 -48.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.85 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.4 pp -105.69 49.8 0.8 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -23.85 59.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.46 55.92 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -70.25 -53.98 9.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 105.45 2.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.7 t -103.59 -30.54 2.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tp 56.74 89.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.88 125.3 33.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.967 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -44.28 -62.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.55 94.73 0.45 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.01 -53.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 18' ' ' PRO . 2.6 m 80.01 -53.31 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.421 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 42.22 37.28 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' HB3' HG21 ' A' ' 25' ' ' VAL . 5.7 mt -128.15 69.41 1.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 0.798 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 22' ' ' LEU . 10.2 mt -122.0 -97.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.71 -21.85 3.74 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -85.54 -32.3 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.348 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 26' ' ' ALA . 94.9 t -105.51 -107.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 1.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.534 0.207 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.4 m -95.77 -156.74 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.72 57.43 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -115.4 -53.37 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' HD23 ' A' ' 8' ' ' LEU . . . -41.34 -55.63 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 9.1 ttt -42.84 -41.84 3.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -131.9 64.16 1.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.538 HD23 ' O ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -87.9 46.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -111.19 -26.87 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.9 -58.23 3.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 59.8 m 63.11 151.28 0.11 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 67.14 5.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -107.84 -26.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.0 p 58.68 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.98 136.46 56.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.58 171.47 16.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.72 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 19' ' ' THR . 96.1 m 63.1 40.77 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.7 -37.22 94.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.5 mp -48.85 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 22' ' ' LEU . 11.0 mt -52.59 -22.29 4.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.97 -18.45 79.09 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -148.48 73.95 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.29 -107.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.463 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 1.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.4 m -113.05 111.29 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB1' ' SD ' ' A' ' 6' ' ' MET . . . -108.29 60.15 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.01 -61.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -43.03 -38.84 2.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.414 ' SD ' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -44.4 -39.3 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -122.68 50.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.489 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -150.06 -52.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -40.61 -29.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.5 p -130.47 61.93 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -72.57 -54.0 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 108.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 11' ' ' CYS . 18.1 Cg_endo -75.05 104.93 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.63 15.96 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mp -128.07 76.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -107.01 87.59 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.958 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -74.46 155.13 38.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.32 161.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.06 0.31 9.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.485 ' O ' HD12 ' A' ' 21' ' ' LEU . 5.0 t -38.28 -50.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' N ' HG23 ' A' ' 19' ' ' THR . . . 38.39 61.85 1.19 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -150.72 -67.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 22' ' ' LEU . 7.2 tt -46.59 -25.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -49.18 -46.06 34.37 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -96.53 33.13 1.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.84 ' O ' ' OXT' ' A' ' 26' ' ' ALA . 97.1 t -123.12 -107.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.84 ' OXT' ' O ' ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 1.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.494 0.188 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -112.6 111.09 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.87 68.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.41 39.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.75 -47.15 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.48 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.38 39.34 0.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.768 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -160.36 -45.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.6 pp -120.18 57.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -15.31 32.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 p -169.01 67.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -53.66 150.34 13.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.14 0.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.538 1.809 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 14' ' ' LEU . 76.9 t -140.64 -95.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.9 OUTLIER 77.75 -56.29 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.247 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.09 157.53 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 65.19 161.41 0.13 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.08 -84.52 1.43 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -46.85 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 111.034 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.0 m 66.32 39.86 3.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.94 -60.55 4.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.55 1.157 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 41.64 51.0 3.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 0.769 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -115.63 103.58 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.28 -20.94 9.51 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.41 28.93 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.784 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.465 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.37 -107.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 1.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.523 0.202 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.47 120.74 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.65 57.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.24 52.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 9' ' ' ARG . . . -172.41 -49.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.7 ttm -44.48 -41.33 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.37 -50.44 14.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -92.47 44.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' ALA . 1.5 ttt-85 -71.38 -28.49 64.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.6 m -64.45 -56.03 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 52.27 69.88 2.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 69.75 5.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -94.48 -25.84 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.1 -58.47 2.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.27 135.67 53.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -167.47 72.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.327 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.93 167.42 29.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.25 9.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -38.23 -49.3 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.1 -54.65 8.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CG1' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 46.54 67.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.786 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.16 32.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -156.81 -44.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.64 32.24 2.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.466 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.41 -107.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 1.0 109.372 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.476 0.179 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -116.72 113.15 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 4' ' ' ALA . . . -77.79 57.55 1.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 3' ' ' ALA . . . 178.62 55.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 4' ' ' ALA . . . 178.75 -52.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.25 -52.08 65.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -51.05 70.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.28 51.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -25.57 67.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 76.8 p -143.91 -58.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.3 m -120.12 150.68 51.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 108.292 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -110.97 -30.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tp -174.89 -53.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.5 t -179.85 136.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 64.47 139.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.17 157.5 22.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 19' ' ' THR . 18.4 Cg_endo -75.0 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 ' N ' ' A' ' 20' ' ' GLY . 0.9 OUTLIER 167.05 -80.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.723 ' N ' HG22 ' A' ' 19' ' ' THR . . . 82.38 -49.15 4.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.547 HD23 HG23 ' A' ' 25' ' ' VAL . 7.4 mp -44.26 -67.78 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' VAL . 0.3 OUTLIER 68.09 -96.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -45.39 -24.92 1.12 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -36.06 13.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 26' ' ' ALA . 96.3 t -115.91 -107.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.648 ' N ' HG12 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 1.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HB3' ' HB3' ' A' ' 4' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.531 0.205 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.6 m -112.2 110.79 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 45.96 58.25 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' A' ' 1' ' ' MET . . . -135.63 -47.41 0.68 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' A' ' 8' ' ' LEU . . . -91.26 40.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.64 -42.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -108.98 26.54 10.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 5' ' ' ALA . 1.7 pt? -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -93.89 38.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.1 t 68.44 57.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 m 44.0 81.35 0.25 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 108.293 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -49.12 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.462 1.769 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -43.72 -29.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tp 62.36 77.59 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 t -132.98 78.48 1.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -94.41 142.76 27.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 172.31 47.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.582 ' C ' HG22 ' A' ' 19' ' ' THR . 18.2 Cg_endo -75.01 -70.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.769 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.582 HG22 ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER 167.84 -37.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 39.14 47.34 2.6 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -120.09 -58.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -47.28 -25.39 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 21' ' ' LEU . . . -56.19 -32.93 60.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -159.86 80.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 0.748 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 21' ' ' LEU . 1.4 m -103.32 -107.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.499 0.19 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 2' ' ' VAL . 18.2 m -104.27 109.0 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.48 58.59 2.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.95 -53.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HA ' HD21 ' A' ' 8' ' ' LEU . . . -42.24 -33.31 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.8 ttt -81.26 -44.3 17.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -17.69 23.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.814 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.9 pp -111.41 56.4 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -57.68 117.52 4.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m 48.11 24.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.5 m 63.3 151.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 108.31 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -50.5 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.439 1.757 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 14' ' ' LEU . 61.6 t -136.65 -95.2 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' N ' HG12 ' A' ' 13' ' ' VAL . 6.0 tp -144.62 61.66 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.0 m -112.39 108.29 17.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -131.57 96.43 3.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.06 171.64 43.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -41.53 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.2 p 38.96 74.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.85 60.69 0.41 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.538 1.149 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mp -124.51 -68.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tt -40.58 104.56 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.15 -49.21 0.76 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -127.31 52.99 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 26' ' ' ALA . 1.4 m -103.41 -107.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.478 ' H ' HG23 ' A' ' 25' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 1.0 109.311 179.968 . . . . . . . . 1 1 . 1 stop_ save_