data_1pp5_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 1pp5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.405 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -159.99 -43.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.15 35.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -84.18 -158.15 27.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -113.66 -42.55 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 31.8 m -87.7 143.33 33.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 131.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' PRO . 8.6 pt-20 -94.31 33.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -85.49 87.55 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.08 -18.77 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 13' ' ' ILE . 10.2 t -93.25 162.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -83.37 -43.7 7.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.16 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -56.05 -157.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -118.67 42.08 1.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.439 1.087 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -83.12 -57.28 0.44 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.388 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.99 101.08 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 14' ' ' GLY . 5.5 mt -132.05 47.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.403 1.064 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.477 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 65.6 m -156.1 -171.59 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 38.6 m-85 -132.3 153.37 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' A' ' 21' ' ' GLY . 40.0 t80 -122.72 168.14 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.93 116.17 0.38 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 64.51 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.43 -141.28 5.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -130.79 -47.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 7' ' ' PRO . 57.8 t -94.68 142.14 24.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.97 123.6 8.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 14.5 pt-20 -89.58 32.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 35.2 m-85 -77.74 87.99 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -112.11 -19.9 12.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 12' ' ' GLY . 4.8 t -83.76 151.06 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.415 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -66.42 -47.25 71.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.3 pt -64.2 -146.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -129.37 48.83 0.95 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -84.27 -51.96 0.56 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 110.455 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.09 66.36 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 18.3 mm -93.97 57.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -160.57 -179.38 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -128.87 144.0 51.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -113.91 178.0 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.405 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.42 107.05 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.31 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.51 -132.17 3.28 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -127.48 -52.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 0.72 . . . . 0.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 7' ' ' PRO . 63.8 t -100.5 143.83 27.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.01 151.25 39.25 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -100.52 -28.84 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.586 ' C ' ' O ' ' A' ' 8' ' ' GLU . 74.5 m-85 -18.04 89.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 38.6 p90 -120.54 -33.19 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.607 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -95.83 -170.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -138.42 50.84 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 HG12 ' CG1' ' A' ' 11' ' ' VAL . 6.8 pt -129.06 2.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.29 19.55 76.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.522 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -82.67 -57.73 0.45 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.367 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -75.01 67.52 5.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 mm -107.23 52.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.405 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 15.8 m -157.64 -172.83 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' PRO . 8.7 m-85 -132.77 134.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' VAL . 30.9 t80 -92.76 154.92 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.47 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -172.8 -65.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.67 66.22 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -115.82 -154.9 10.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -120.65 -43.83 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.585 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 7' ' ' PRO . 7.2 p -88.43 141.95 30.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.94 123.03 7.61 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.49 1.784 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.8 pt-20 -86.87 39.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -84.82 83.93 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 12.4 p90 -108.97 -39.79 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -89.42 23.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 36.13 -120.56 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.547 1.155 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' HG13 ' A' ' 11' ' ' VAL . 3.4 pt 35.67 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.417 0.716 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.33 42.02 1.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.654 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -101.84 -64.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 87.54 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -119.35 57.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.47 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 69.5 m -156.03 179.36 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' GLY . 49.8 m-85 -124.17 148.0 47.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 4.2 t80 -117.89 165.24 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.582 1.176 . . . . 0.0 110.996 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . 162.2 115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . . . 55.68 105.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.38 -150.86 6.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -124.03 -50.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.48 153.76 38.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 125.65 9.38 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 pt-20 -90.28 33.06 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.98 86.99 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -113.72 -20.74 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -126.17 -166.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.565 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -121.81 -135.22 4.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 12' ' ' GLY . 1.5 pt 54.88 12.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 12' ' ' GLY . . . 56.94 37.85 81.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.587 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -89.59 -60.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 0.807 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.587 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.91 67.06 5.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 45.1 mm -104.7 35.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 41.2 m -137.39 -174.74 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -125.09 144.5 50.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.03 162.16 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.503 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -168.85 -128.23 0.98 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.91 84.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.91 -166.51 12.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.88 -45.78 3.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.515 ' CG2' ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -85.52 145.48 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.96 140.67 25.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.752 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 37.3 mt-10 -84.67 -12.69 53.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 86.0 m-85 -60.67 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.752 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 1.8 p90 -119.57 -24.17 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -97.19 167.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.48 -52.83 19.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.563 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 9.8 tp -50.31 163.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.573 0.808 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -89.47 18.35 46.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.545 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -61.07 -48.95 90.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.3 Cg_endo -74.93 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.7 mm -122.78 -9.37 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.27 -171.1 1.79 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' GLY . 4.4 m-85 -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -103.86 157.96 16.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -162.31 -78.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.87 62.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -176.42 33.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.409 1.068 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -93.18 -50.0 5.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.662 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.48 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 3.3 m -84.26 164.85 41.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 6' ' ' VAL . 18.6 Cg_endo -74.93 130.57 13.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HG3' ' CE2' ' A' ' 10' ' ' PHE . 10.9 tt0 -84.66 -4.46 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 89.5 m-85 -73.31 82.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 8' ' ' GLU . 1.4 p90 -108.81 -20.61 13.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.501 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -101.45 162.05 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.99 -53.55 18.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.501 HG22 ' CG1' ' A' ' 11' ' ' VAL . 10.7 tp -49.64 161.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -90.19 38.03 3.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -82.21 -48.66 0.9 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 67.67 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.559 1.821 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.6 mm -95.58 58.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 15.7 m -162.83 -164.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 1.2 m-85 -132.53 140.64 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -106.73 179.11 4.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.457 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -171.69 -80.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.86 50.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -82.53 -152.66 11.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -104.89 -50.07 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -108.29 161.29 23.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.414 ' N ' HG12 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.03 151.3 39.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.664 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -94.22 -50.15 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.664 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.2 m-85 3.76 84.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 24.6 p90 -126.74 -47.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.694 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 89.7 t -48.44 167.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -97.23 29.53 10.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -139.56 -145.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -123.18 45.35 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.514 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -90.88 -57.66 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -74.99 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -133.99 36.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.457 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 4.3 m -142.09 -165.83 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 7.6 m-85 -123.6 147.18 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -129.52 173.35 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.463 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.462 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -169.4 -138.02 2.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' GLY . . . -46.57 -56.97 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . 29.88 -146.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -141.05 -51.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.659 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 20' ' ' TYR . 3.2 m -87.85 159.5 48.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 18.5 Cg_endo -74.97 142.38 27.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 40.1 mt-10 -85.26 -13.01 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.429 ' N ' ' HB2' ' A' ' 16' ' ' PRO . 11.4 m-85 -48.64 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -152.23 19.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 4.0 t -128.24 165.47 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.17 -56.15 6.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.526 HD13 ' CB ' ' A' ' 15' ' ' THR . 1.8 pt -60.81 -141.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -127.38 27.45 4.74 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.593 1.183 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.526 ' CB ' HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -54.48 -53.71 56.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.416 0.715 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.2 Cg_endo -74.99 106.51 2.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 14' ' ' GLY . 10.7 mt -132.21 12.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.463 ' HB2' ' C ' ' A' ' 1' ' ' GLY . 14.9 m -137.49 -166.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 59.8 m-85 -125.35 148.81 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 21' ' ' GLY . 0.8 OUTLIER -127.53 162.41 26.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.575 ' O ' ' CE1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' CG ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 18' ' ' SER . . . 70.03 125.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 19' ' ' PHE . . . 58.34 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.355 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.488 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . 30.36 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.388 1.055 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -137.88 -49.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 56.8 t -85.95 144.12 38.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.98 137.47 21.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.0 pt-20 -102.91 32.06 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -80.65 86.45 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -115.99 -32.8 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 13' ' ' ILE . 58.7 t -81.82 158.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.31 43.17 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.8 pt -133.92 -152.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.23 37.83 3.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -90.1 -61.8 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.759 . . . . 0.0 110.417 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.02 41.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' HA2' ' A' ' 2' ' ' GLY . 3.6 m -162.64 -172.81 3.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 3.6 m-85 -125.48 153.48 43.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CG ' ' HA3' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -117.99 -169.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -159.99 -43.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.15 35.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -84.18 -158.15 27.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -113.66 -42.55 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 31.8 m -87.7 143.33 33.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 131.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' PRO . 8.6 pt-20 -94.31 33.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -85.49 87.55 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.08 -18.77 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 13' ' ' ILE . 10.2 t -93.25 162.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -83.37 -43.7 7.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.16 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -56.05 -157.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -118.67 42.08 1.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.439 1.087 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -83.12 -57.28 0.44 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.388 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.99 101.08 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 14' ' ' GLY . 5.5 mt -132.05 47.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.403 1.064 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.477 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 65.6 m -156.1 -171.59 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 38.6 m-85 -132.3 153.37 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' A' ' 21' ' ' GLY . 40.0 t80 -122.72 168.14 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.93 116.17 0.38 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 64.51 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.43 -141.28 5.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -130.79 -47.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.424 ' CG1' ' HD2' ' A' ' 7' ' ' PRO . 57.8 t -94.68 142.14 24.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.97 123.6 8.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 14.5 pt-20 -89.58 32.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 35.2 m-85 -77.74 87.99 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 0.7 OUTLIER -112.11 -19.9 12.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 12' ' ' GLY . 4.8 t -83.76 151.06 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -66.42 -47.25 71.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.3 pt -64.2 -146.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -129.37 48.83 0.95 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -84.27 -51.96 0.56 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 110.455 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.09 66.36 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 18.3 mm -93.97 57.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -160.57 -179.38 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -128.87 144.0 51.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -113.91 178.0 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.42 107.05 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.31 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.51 -132.17 3.28 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -127.48 -52.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 0.72 . . . . 0.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.498 ' CG1' ' HD2' ' A' ' 7' ' ' PRO . 63.8 t -100.5 143.83 27.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . 18.1 Cg_endo -75.01 151.25 39.25 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -100.52 -28.84 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.586 ' C ' ' O ' ' A' ' 8' ' ' GLU . 74.5 m-85 -18.04 89.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 38.6 p90 -120.54 -33.19 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.607 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -95.83 -170.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -138.42 50.84 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 HG12 ' CG1' ' A' ' 11' ' ' VAL . 6.8 pt -129.06 2.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.29 19.55 76.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.522 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -82.67 -57.73 0.45 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.367 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.553 ' HB3' ' CE2' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -75.01 67.52 5.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.9 mm -107.23 52.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.405 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 15.8 m -157.64 -172.83 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' PRO . 8.7 m-85 -132.77 134.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' VAL . 30.9 t80 -92.76 154.92 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.47 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -172.8 -65.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.67 66.22 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -115.82 -154.9 10.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -120.65 -43.83 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.585 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.494 ' CG2' ' HD2' ' A' ' 7' ' ' PRO . 7.2 p -88.43 141.95 30.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.94 123.03 7.61 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.49 1.784 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.8 pt-20 -86.87 39.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -84.82 83.93 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 12.4 p90 -108.97 -39.79 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -89.42 23.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 36.13 -120.56 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.547 1.155 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.496 ' CD1' HG13 ' A' ' 11' ' ' VAL . 3.4 pt 35.67 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.417 0.716 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.33 42.02 1.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.654 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -101.84 -64.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 87.54 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -119.35 57.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.47 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 69.5 m -156.03 179.36 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' GLY . 49.8 m-85 -124.17 148.0 47.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 4.2 t80 -117.89 165.24 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.582 1.176 . . . . 0.0 110.996 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . 162.2 115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . . . 55.68 105.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.38 -150.86 6.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -124.03 -50.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.48 153.76 38.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 125.65 9.38 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 pt-20 -90.28 33.06 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.98 86.99 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -113.72 -20.74 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.565 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -126.17 -166.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.565 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -121.81 -135.22 4.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 12' ' ' GLY . 1.5 pt 54.88 12.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 12' ' ' GLY . . . 56.94 37.85 81.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.587 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -89.59 -60.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 0.807 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.587 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.91 67.06 5.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 17' ' ' ILE . 45.1 mm -104.7 35.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 41.2 m -137.39 -174.74 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -125.09 144.5 50.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.03 162.16 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.503 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -168.85 -128.23 0.98 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.91 84.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.91 -166.51 12.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.88 -45.78 3.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.515 ' CG2' ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -85.52 145.48 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.96 140.67 25.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.752 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 37.3 mt-10 -84.67 -12.69 53.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 86.0 m-85 -60.67 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.752 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 1.8 p90 -119.57 -24.17 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 13' ' ' ILE . 0.4 OUTLIER -97.19 167.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.48 -52.83 19.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.563 ' CG2' ' CG1' ' A' ' 11' ' ' VAL . 9.8 tp -50.31 163.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.573 0.808 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -89.47 18.35 46.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.545 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -61.07 -48.95 90.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.3 Cg_endo -74.93 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.514 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.7 mm -122.78 -9.37 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.27 -171.1 1.79 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' GLY . 4.4 m-85 -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -103.86 157.96 16.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -162.31 -78.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.87 62.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -176.42 33.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.409 1.068 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -93.18 -50.0 5.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.662 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.48 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 3.3 m -84.26 164.85 41.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 6' ' ' VAL . 18.6 Cg_endo -74.93 130.57 13.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.501 ' HG3' ' CE2' ' A' ' 10' ' ' PHE . 10.9 tt0 -84.66 -4.46 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 89.5 m-85 -73.31 82.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 8' ' ' GLU . 1.4 p90 -108.81 -20.61 13.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.501 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -101.45 162.05 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.99 -53.55 18.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.501 HG22 ' CG1' ' A' ' 11' ' ' VAL . 10.7 tp -49.64 161.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -90.19 38.03 3.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.547 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.3 OUTLIER -82.21 -48.66 0.9 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 67.67 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.559 1.821 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.6 mm -95.58 58.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 15.7 m -162.83 -164.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 1.2 m-85 -132.53 140.64 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -106.73 179.11 4.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.457 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -171.69 -80.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.86 50.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -82.53 -152.66 11.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -104.89 -50.07 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -108.29 161.29 23.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' N ' HG12 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.03 151.3 39.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.664 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -94.22 -50.15 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.664 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.2 m-85 3.76 84.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.694 ' CE2' ' CG2' ' A' ' 11' ' ' VAL . 24.6 p90 -126.74 -47.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.694 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 89.7 t -48.44 167.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -97.23 29.53 10.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' CG1' ' N ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -139.56 -145.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' N ' ' CG1' ' A' ' 13' ' ' ILE . . . -123.18 45.35 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.514 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -90.88 -57.66 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -74.99 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -133.99 36.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.457 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 4.3 m -142.09 -165.83 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 7.6 m-85 -123.6 147.18 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -129.52 173.35 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.463 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.462 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -169.4 -138.02 2.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' GLY . . . -46.57 -56.97 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . 29.88 -146.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -141.05 -51.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.659 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.488 ' CG2' ' CE2' ' A' ' 20' ' ' TYR . 3.2 m -87.85 159.5 48.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 18.5 Cg_endo -74.97 142.38 27.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 40.1 mt-10 -85.26 -13.01 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' N ' ' HB2' ' A' ' 16' ' ' PRO . 11.4 m-85 -48.64 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -152.23 19.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 4.0 t -128.24 165.47 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.17 -56.15 6.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.526 HD13 ' CB ' ' A' ' 15' ' ' THR . 1.8 pt -60.81 -141.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -127.38 27.45 4.74 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.593 1.183 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.526 ' CB ' HD13 ' A' ' 13' ' ' ILE . 0.5 OUTLIER -54.48 -53.71 56.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.416 0.715 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.466 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.2 Cg_endo -74.99 106.51 2.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 14' ' ' GLY . 10.7 mt -132.21 12.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HB2' ' C ' ' A' ' 1' ' ' GLY . 14.9 m -137.49 -166.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 59.8 m-85 -125.35 148.81 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.575 ' CE1' ' O ' ' A' ' 21' ' ' GLY . 0.8 OUTLIER -127.53 162.41 26.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.575 ' O ' ' CE1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' CG ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 18' ' ' SER . . . 70.03 125.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 19' ' ' PHE . . . 58.34 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.355 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . 30.36 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.388 1.055 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -137.88 -49.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 19' ' ' PHE . 56.8 t -85.95 144.12 38.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.499 ' HD2' ' CG1' ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.98 137.47 21.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.0 pt-20 -102.91 32.06 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -80.65 86.45 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -115.99 -32.8 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 13' ' ' ILE . 58.7 t -81.82 158.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.31 43.17 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.8 pt -133.92 -152.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.23 37.83 3.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -90.1 -61.8 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.759 . . . . 0.0 110.417 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.02 41.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.495 ' CB ' ' HA2' ' A' ' 2' ' ' GLY . 3.6 m -162.64 -172.81 3.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 3.6 m-85 -125.48 153.48 43.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CG ' ' HA3' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -117.99 -169.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -159.99 -43.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.15 35.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -84.18 -158.15 27.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -113.66 -42.55 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 20' ' ' TYR . 31.8 m -87.7 143.33 33.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 131.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' PRO . 8.6 pt-20 -94.31 33.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -85.49 87.55 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.699 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -115.08 -18.77 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.699 HG23 ' HD1' ' A' ' 10' ' ' PHE . 10.2 t -93.25 162.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -83.37 -43.7 7.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.16 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -56.05 -157.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -118.67 42.08 1.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.439 1.087 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -83.12 -57.28 0.44 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.388 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.99 101.08 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 14' ' ' GLY . 5.5 mt -132.05 47.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.403 1.064 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.476 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 65.6 m -156.1 -171.59 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 38.6 m-85 -132.3 153.37 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.0 t80 -122.72 168.14 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.93 116.17 0.38 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 64.51 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.43 -141.28 5.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -130.79 -47.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 7' ' ' PRO . 57.8 t -94.68 142.14 24.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.97 123.6 8.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 14.5 pt-20 -89.58 32.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 35.2 m-85 -77.74 87.99 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -112.11 -19.9 12.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' HD1' ' A' ' 10' ' ' PHE . 4.8 t -83.76 151.06 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.42 -47.25 71.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.3 pt -64.2 -146.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -129.37 48.83 0.95 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -84.27 -51.96 0.56 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 110.455 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.09 66.36 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 18.3 mm -93.97 57.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -160.57 -179.38 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.3 m-85 -128.87 144.0 51.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -113.91 178.0 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.42 107.05 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.31 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.51 -132.17 3.28 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -127.48 -52.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 0.72 . . . . 0.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.728 HG13 ' HD2' ' A' ' 7' ' ' PRO . 63.8 t -100.5 143.83 27.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.728 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.01 151.25 39.25 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -100.52 -28.84 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.586 ' C ' ' O ' ' A' ' 8' ' ' GLU . 74.5 m-85 -18.04 89.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 38.6 p90 -120.54 -33.19 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -95.83 -170.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -138.42 50.84 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.575 HG12 HG11 ' A' ' 11' ' ' VAL . 6.8 pt -129.06 2.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.29 19.55 76.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.522 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -82.67 -57.73 0.45 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.367 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.656 ' CD ' HG12 ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.01 67.52 5.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 17' ' ' ILE . 44.9 mm -107.23 52.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 15.8 m -157.64 -172.83 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' PRO . 8.7 m-85 -132.77 134.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' VAL . 30.9 t80 -92.76 154.92 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -172.8 -65.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.67 66.22 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -115.82 -154.9 10.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -120.65 -43.83 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.585 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 7' ' ' PRO . 7.2 p -88.43 141.95 30.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.94 123.03 7.61 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.49 1.784 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.8 pt-20 -86.87 39.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -84.82 83.93 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 12.4 p90 -108.97 -39.79 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -89.42 23.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 36.13 -120.56 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.547 1.155 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 14' ' ' GLY . 3.4 pt 35.67 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.417 0.716 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.33 42.02 1.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.658 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -101.84 -64.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD3' ' HB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 87.54 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -119.35 57.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 69.5 m -156.03 179.36 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 49.8 m-85 -124.17 148.0 47.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 6' ' ' VAL . 4.2 t80 -117.89 165.24 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.582 1.176 . . . . 0.0 110.996 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . 162.2 115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . . . 55.68 105.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.38 -150.86 6.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -124.03 -50.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.48 153.76 38.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 125.65 9.38 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 pt-20 -90.28 33.06 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.98 86.99 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -113.72 -20.74 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -126.17 -166.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.798 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -121.81 -135.22 4.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 12' ' ' GLY . 1.5 pt 54.88 12.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 12' ' ' GLY . . . 56.94 37.85 81.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.587 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -89.59 -60.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 0.807 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.708 ' HG3' HG12 ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.91 67.06 5.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 17' ' ' ILE . 45.1 mm -104.7 35.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 41.2 m -137.39 -174.74 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -125.09 144.5 50.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.03 162.16 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -168.85 -128.23 0.98 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.91 84.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.91 -166.51 12.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.88 -45.78 3.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.818 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -85.52 145.48 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.96 140.67 25.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.752 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 37.3 mt-10 -84.67 -12.69 53.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 86.0 m-85 -60.67 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.752 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 1.8 p90 -119.57 -24.17 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.794 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -97.19 167.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.48 -52.83 19.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.794 HG22 ' CG1' ' A' ' 11' ' ' VAL . 9.8 tp -50.31 163.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.573 0.808 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -89.47 18.35 46.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.599 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.07 -48.95 90.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.3 Cg_endo -74.93 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 14' ' ' GLY . 20.7 mm -122.78 -9.37 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.502 ' HB2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.27 -171.1 1.79 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' GLY . 4.4 m-85 -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' O ' HG12 ' A' ' 6' ' ' VAL . 27.2 t80 -103.86 157.96 16.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -162.31 -78.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.87 62.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -176.42 33.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.409 1.068 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -93.18 -50.0 5.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.662 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 3.3 m -84.26 164.85 41.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 6' ' ' VAL . 18.6 Cg_endo -74.93 130.57 13.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HG3' ' CE2' ' A' ' 10' ' ' PHE . 10.9 tt0 -84.66 -4.46 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 89.5 m-85 -73.31 82.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 8' ' ' GLU . 1.4 p90 -108.81 -20.61 13.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.756 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -101.45 162.05 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.99 -53.55 18.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.756 HG22 ' CG1' ' A' ' 11' ' ' VAL . 10.7 tp -49.64 161.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -90.19 38.03 3.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.663 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -82.21 -48.66 0.9 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 67.67 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.559 1.821 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.6 mm -95.58 58.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 15.7 m -162.83 -164.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 1.2 m-85 -132.53 140.64 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 6' ' ' VAL . 6.6 t80 -106.73 179.11 4.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -171.69 -80.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.86 50.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -82.53 -152.66 11.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -104.89 -50.07 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.715 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -108.29 161.29 23.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.03 151.3 39.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.664 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -94.22 -50.15 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.664 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.2 m-85 3.76 84.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.955 ' CE2' HG23 ' A' ' 11' ' ' VAL . 24.6 p90 -126.74 -47.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.955 HG23 ' CE2' ' A' ' 10' ' ' PHE . 89.7 t -48.44 167.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.548 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -97.23 29.53 10.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.532 HD12 ' H ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -139.56 -145.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.532 ' H ' HD12 ' A' ' 13' ' ' ILE . . . -123.18 45.35 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.514 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -90.88 -57.66 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -74.99 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -133.99 36.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 4.3 m -142.09 -165.83 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 7.6 m-85 -123.6 147.18 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -129.52 173.35 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.461 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.462 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -169.4 -138.02 2.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' GLY . . . -46.57 -56.97 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . 29.88 -146.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -141.05 -51.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.659 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 20' ' ' TYR . 3.2 m -87.85 159.5 48.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 18.5 Cg_endo -74.97 142.38 27.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 40.1 mt-10 -85.26 -13.01 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.43 ' N ' ' HB2' ' A' ' 16' ' ' PRO . 11.4 m-85 -48.64 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -152.23 19.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 4.0 t -128.24 165.47 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.17 -56.15 6.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 15' ' ' THR . 1.8 pt -60.81 -141.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -127.38 27.45 4.74 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.593 1.183 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.515 HG22 ' HD3' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -54.48 -53.71 56.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.416 0.715 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD3' HG22 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 106.51 2.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 14' ' ' GLY . 10.7 mt -132.21 12.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 14.9 m -137.49 -166.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 59.8 m-85 -125.35 148.81 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.636 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -127.53 162.41 26.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.575 ' O ' ' CE1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' CG ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 18' ' ' SER . . . 70.03 125.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 19' ' ' PHE . . . 58.34 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.355 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.488 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . 30.36 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.388 1.055 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -137.88 -49.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 7' ' ' PRO . 56.8 t -85.95 144.12 38.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.758 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.98 137.47 21.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.0 pt-20 -102.91 32.06 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -80.65 86.45 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.854 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -115.99 -32.8 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.854 HG23 ' HD1' ' A' ' 10' ' ' PHE . 58.7 t -81.82 158.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.31 43.17 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 HG11 ' A' ' 11' ' ' VAL . 1.8 pt -133.92 -152.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -119.23 37.83 3.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.601 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -90.1 -61.8 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.759 . . . . 0.0 110.417 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 14' ' ' GLY . 4.3 mt -123.02 41.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.494 ' CB ' ' HA2' ' A' ' 2' ' ' GLY . 3.6 m -162.64 -172.81 3.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 3.6 m-85 -125.48 153.48 43.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CG ' ' HA3' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -117.99 -169.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -159.99 -43.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.15 35.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -84.18 -158.15 27.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -113.66 -42.55 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 20' ' ' TYR . 31.8 m -87.7 143.33 33.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 131.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' PRO . 8.6 pt-20 -94.31 33.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -85.49 87.55 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.699 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -115.08 -18.77 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.699 HG23 ' HD1' ' A' ' 10' ' ' PHE . 10.2 t -93.25 162.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -83.37 -43.7 7.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.16 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -56.05 -157.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -118.67 42.08 1.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.439 1.087 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -83.12 -57.28 0.44 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.388 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.99 101.08 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 14' ' ' GLY . 5.5 mt -132.05 47.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.403 1.064 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.476 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 65.6 m -156.1 -171.59 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 38.6 m-85 -132.3 153.37 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.0 t80 -122.72 168.14 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.93 116.17 0.38 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 64.51 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.43 -141.28 5.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -130.79 -47.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 7' ' ' PRO . 57.8 t -94.68 142.14 24.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.97 123.6 8.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 14.5 pt-20 -89.58 32.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 35.2 m-85 -77.74 87.99 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -112.11 -19.9 12.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' HD1' ' A' ' 10' ' ' PHE . 4.8 t -83.76 151.06 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.42 -47.25 71.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.3 pt -64.2 -146.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -129.37 48.83 0.95 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -84.27 -51.96 0.56 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 110.455 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.09 66.36 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 18.3 mm -93.97 57.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -160.57 -179.38 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.3 m-85 -128.87 144.0 51.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -113.91 178.0 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.42 107.05 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.31 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.51 -132.17 3.28 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -127.48 -52.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 0.72 . . . . 0.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.728 HG13 ' HD2' ' A' ' 7' ' ' PRO . 63.8 t -100.5 143.83 27.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.728 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.01 151.25 39.25 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -100.52 -28.84 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.586 ' C ' ' O ' ' A' ' 8' ' ' GLU . 74.5 m-85 -18.04 89.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 38.6 p90 -120.54 -33.19 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -95.83 -170.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -138.42 50.84 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.575 HG12 HG11 ' A' ' 11' ' ' VAL . 6.8 pt -129.06 2.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.29 19.55 76.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.522 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -82.67 -57.73 0.45 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.367 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.656 ' CD ' HG12 ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.01 67.52 5.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 17' ' ' ILE . 44.9 mm -107.23 52.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 15.8 m -157.64 -172.83 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' PRO . 8.7 m-85 -132.77 134.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' VAL . 30.9 t80 -92.76 154.92 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -172.8 -65.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.67 66.22 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -115.82 -154.9 10.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -120.65 -43.83 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.585 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 7' ' ' PRO . 7.2 p -88.43 141.95 30.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.94 123.03 7.61 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.49 1.784 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.8 pt-20 -86.87 39.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -84.82 83.93 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 12.4 p90 -108.97 -39.79 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -89.42 23.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 36.13 -120.56 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.547 1.155 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 14' ' ' GLY . 3.4 pt 35.67 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.417 0.716 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.33 42.02 1.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.658 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -101.84 -64.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD3' ' HB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 87.54 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -119.35 57.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 69.5 m -156.03 179.36 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 49.8 m-85 -124.17 148.0 47.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 6' ' ' VAL . 4.2 t80 -117.89 165.24 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.582 1.176 . . . . 0.0 110.996 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . 162.2 115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . . . 55.68 105.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.38 -150.86 6.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -124.03 -50.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.48 153.76 38.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 125.65 9.38 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 pt-20 -90.28 33.06 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.98 86.99 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -113.72 -20.74 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -126.17 -166.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.798 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -121.81 -135.22 4.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 12' ' ' GLY . 1.5 pt 54.88 12.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 12' ' ' GLY . . . 56.94 37.85 81.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.587 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -89.59 -60.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 0.807 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.708 ' HG3' HG12 ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.91 67.06 5.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 17' ' ' ILE . 45.1 mm -104.7 35.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 41.2 m -137.39 -174.74 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -125.09 144.5 50.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.03 162.16 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -168.85 -128.23 0.98 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.91 84.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.91 -166.51 12.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.88 -45.78 3.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.818 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -85.52 145.48 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.96 140.67 25.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.752 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 37.3 mt-10 -84.67 -12.69 53.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 86.0 m-85 -60.67 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.752 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 1.8 p90 -119.57 -24.17 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.794 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -97.19 167.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.48 -52.83 19.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.794 HG22 ' CG1' ' A' ' 11' ' ' VAL . 9.8 tp -50.31 163.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.573 0.808 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -89.47 18.35 46.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.599 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.07 -48.95 90.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.3 Cg_endo -74.93 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 14' ' ' GLY . 20.7 mm -122.78 -9.37 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.502 ' HB2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.27 -171.1 1.79 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' GLY . 4.4 m-85 -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' O ' HG12 ' A' ' 6' ' ' VAL . 27.2 t80 -103.86 157.96 16.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -162.31 -78.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.87 62.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -176.42 33.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.409 1.068 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -93.18 -50.0 5.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.662 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 3.3 m -84.26 164.85 41.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 6' ' ' VAL . 18.6 Cg_endo -74.93 130.57 13.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HG3' ' CE2' ' A' ' 10' ' ' PHE . 10.9 tt0 -84.66 -4.46 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 89.5 m-85 -73.31 82.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 8' ' ' GLU . 1.4 p90 -108.81 -20.61 13.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.756 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -101.45 162.05 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.99 -53.55 18.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.756 HG22 ' CG1' ' A' ' 11' ' ' VAL . 10.7 tp -49.64 161.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -90.19 38.03 3.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.663 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -82.21 -48.66 0.9 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 67.67 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.559 1.821 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.6 mm -95.58 58.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 15.7 m -162.83 -164.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 1.2 m-85 -132.53 140.64 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 6' ' ' VAL . 6.6 t80 -106.73 179.11 4.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -171.69 -80.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.86 50.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -82.53 -152.66 11.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -104.89 -50.07 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.715 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -108.29 161.29 23.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.03 151.3 39.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.664 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -94.22 -50.15 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.664 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.2 m-85 3.76 84.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.955 ' CE2' HG23 ' A' ' 11' ' ' VAL . 24.6 p90 -126.74 -47.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.955 HG23 ' CE2' ' A' ' 10' ' ' PHE . 89.7 t -48.44 167.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.548 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -97.23 29.53 10.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.532 HD12 ' H ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -139.56 -145.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.532 ' H ' HD12 ' A' ' 13' ' ' ILE . . . -123.18 45.35 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.514 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -90.88 -57.66 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -74.99 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -133.99 36.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 4.3 m -142.09 -165.83 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 7.6 m-85 -123.6 147.18 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -129.52 173.35 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.462 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -169.4 -138.02 2.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' GLY . . . -46.57 -56.97 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . 29.88 -146.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -141.05 -51.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.659 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 20' ' ' TYR . 3.2 m -87.85 159.5 48.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 18.5 Cg_endo -74.97 142.38 27.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 40.1 mt-10 -85.26 -13.01 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.43 ' N ' ' HB2' ' A' ' 16' ' ' PRO . 11.4 m-85 -48.64 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -152.23 19.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 4.0 t -128.24 165.47 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.17 -56.15 6.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 15' ' ' THR . 1.8 pt -60.81 -141.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -127.38 27.45 4.74 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.593 1.183 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.515 HG22 ' HD3' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -54.48 -53.71 56.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.416 0.715 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD3' HG22 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 106.51 2.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 14' ' ' GLY . 10.7 mt -132.21 12.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 14.9 m -137.49 -166.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 59.8 m-85 -125.35 148.81 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.636 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -127.53 162.41 26.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.575 ' O ' ' CE1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' CG ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 18' ' ' SER . . . 70.03 125.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 19' ' ' PHE . . . 58.34 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.355 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . 30.36 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.388 1.055 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -137.88 -49.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 7' ' ' PRO . 56.8 t -85.95 144.12 38.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.758 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.98 137.47 21.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.0 pt-20 -102.91 32.06 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -80.65 86.45 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.854 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -115.99 -32.8 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.854 HG23 ' HD1' ' A' ' 10' ' ' PHE . 58.7 t -81.82 158.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.31 43.17 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 HG11 ' A' ' 11' ' ' VAL . 1.8 pt -133.92 -152.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -119.23 37.83 3.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.601 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -90.1 -61.8 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.759 . . . . 0.0 110.417 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 14' ' ' GLY . 4.3 mt -123.02 41.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.494 ' CB ' ' HA2' ' A' ' 2' ' ' GLY . 3.6 m -162.64 -172.81 3.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 3.6 m-85 -125.48 153.48 43.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CG ' ' HA3' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -117.99 -169.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -159.99 -43.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.15 35.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -84.18 -158.15 27.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -113.66 -42.55 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 20' ' ' TYR . 31.8 m -87.7 143.33 33.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 131.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' PRO . 8.6 pt-20 -94.31 33.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -85.49 87.55 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.699 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -115.08 -18.77 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.699 HG23 ' HD1' ' A' ' 10' ' ' PHE . 10.2 t -93.25 162.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -83.37 -43.7 7.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.16 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -56.05 -157.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -118.67 42.08 1.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.439 1.087 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -83.12 -57.28 0.44 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.388 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.99 101.08 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 14' ' ' GLY . 5.5 mt -132.05 47.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.403 1.064 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.476 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 65.6 m -156.1 -171.59 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 38.6 m-85 -132.3 153.37 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.0 t80 -122.72 168.14 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.93 116.17 0.38 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 64.51 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.43 -141.28 5.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -130.79 -47.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 7' ' ' PRO . 57.8 t -94.68 142.14 24.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.97 123.6 8.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 14.5 pt-20 -89.58 32.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 35.2 m-85 -77.74 87.99 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -112.11 -19.9 12.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' HD1' ' A' ' 10' ' ' PHE . 4.8 t -83.76 151.06 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.42 -47.25 71.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.3 pt -64.2 -146.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -129.37 48.83 0.95 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -84.27 -51.96 0.56 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 110.455 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.09 66.36 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 18.3 mm -93.97 57.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -160.57 -179.38 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.3 m-85 -128.87 144.0 51.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -113.91 178.0 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.42 107.05 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.31 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.51 -132.17 3.28 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -127.48 -52.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 0.72 . . . . 0.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.728 HG13 ' HD2' ' A' ' 7' ' ' PRO . 63.8 t -100.5 143.83 27.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.728 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.01 151.25 39.25 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -100.52 -28.84 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.586 ' C ' ' O ' ' A' ' 8' ' ' GLU . 74.5 m-85 -18.04 89.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 38.6 p90 -120.54 -33.19 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -95.83 -170.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -138.42 50.84 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.575 HG12 HG11 ' A' ' 11' ' ' VAL . 6.8 pt -129.06 2.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.29 19.55 76.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.522 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -82.67 -57.73 0.45 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.367 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.656 ' CD ' HG12 ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.01 67.52 5.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 17' ' ' ILE . 44.9 mm -107.23 52.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 15.8 m -157.64 -172.83 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' PRO . 8.7 m-85 -132.77 134.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' VAL . 30.9 t80 -92.76 154.92 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -172.8 -65.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.67 66.22 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -115.82 -154.9 10.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -120.65 -43.83 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.585 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 7' ' ' PRO . 7.2 p -88.43 141.95 30.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.94 123.03 7.61 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.49 1.784 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.8 pt-20 -86.87 39.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -84.82 83.93 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 12.4 p90 -108.97 -39.79 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -89.42 23.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 36.13 -120.56 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.547 1.155 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 14' ' ' GLY . 3.4 pt 35.67 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.417 0.716 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.33 42.02 1.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.658 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -101.84 -64.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD3' ' HB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 87.54 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -119.35 57.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 69.5 m -156.03 179.36 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 49.8 m-85 -124.17 148.0 47.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 6' ' ' VAL . 4.2 t80 -117.89 165.24 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.582 1.176 . . . . 0.0 110.996 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . 162.2 115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . . . 55.68 105.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.38 -150.86 6.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -124.03 -50.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.48 153.76 38.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 125.65 9.38 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 pt-20 -90.28 33.06 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.98 86.99 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -113.72 -20.74 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -126.17 -166.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.798 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -121.81 -135.22 4.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 12' ' ' GLY . 1.5 pt 54.88 12.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 12' ' ' GLY . . . 56.94 37.85 81.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.587 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -89.59 -60.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 0.807 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.708 ' HG3' HG12 ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.91 67.06 5.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 17' ' ' ILE . 45.1 mm -104.7 35.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 41.2 m -137.39 -174.74 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -125.09 144.5 50.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.03 162.16 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -168.85 -128.23 0.98 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.91 84.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.91 -166.51 12.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.88 -45.78 3.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.818 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -85.52 145.48 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.96 140.67 25.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.752 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 37.3 mt-10 -84.67 -12.69 53.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 86.0 m-85 -60.67 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.752 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 1.8 p90 -119.57 -24.17 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.794 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -97.19 167.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.48 -52.83 19.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.794 HG22 ' CG1' ' A' ' 11' ' ' VAL . 9.8 tp -50.31 163.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.573 0.808 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -89.47 18.35 46.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.599 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.07 -48.95 90.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.3 Cg_endo -74.93 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 14' ' ' GLY . 20.7 mm -122.78 -9.37 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.502 ' HB2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.27 -171.1 1.79 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' GLY . 4.4 m-85 -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' O ' HG12 ' A' ' 6' ' ' VAL . 27.2 t80 -103.86 157.96 16.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -162.31 -78.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.87 62.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -176.42 33.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.409 1.068 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -93.18 -50.0 5.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.662 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 3.3 m -84.26 164.85 41.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 6' ' ' VAL . 18.6 Cg_endo -74.93 130.57 13.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HG3' ' CE2' ' A' ' 10' ' ' PHE . 10.9 tt0 -84.66 -4.46 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 89.5 m-85 -73.31 82.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 8' ' ' GLU . 1.4 p90 -108.81 -20.61 13.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.756 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -101.45 162.05 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.99 -53.55 18.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.756 HG22 ' CG1' ' A' ' 11' ' ' VAL . 10.7 tp -49.64 161.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -90.19 38.03 3.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.663 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -82.21 -48.66 0.9 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 67.67 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.559 1.821 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.6 mm -95.58 58.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 15.7 m -162.83 -164.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 1.2 m-85 -132.53 140.64 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 6' ' ' VAL . 6.6 t80 -106.73 179.11 4.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -171.69 -80.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.86 50.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -82.53 -152.66 11.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -104.89 -50.07 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.715 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -108.29 161.29 23.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.03 151.3 39.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.664 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -94.22 -50.15 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.664 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.2 m-85 3.76 84.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.955 ' CE2' HG23 ' A' ' 11' ' ' VAL . 24.6 p90 -126.74 -47.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.955 HG23 ' CE2' ' A' ' 10' ' ' PHE . 89.7 t -48.44 167.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.548 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -97.23 29.53 10.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.532 HD12 ' H ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -139.56 -145.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.532 ' H ' HD12 ' A' ' 13' ' ' ILE . . . -123.18 45.35 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.514 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -90.88 -57.66 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -74.99 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -133.99 36.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 4.3 m -142.09 -165.83 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 7.6 m-85 -123.6 147.18 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -129.52 173.35 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.461 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.462 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -169.4 -138.02 2.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' GLY . . . -46.57 -56.97 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . 29.88 -146.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -141.05 -51.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.659 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 20' ' ' TYR . 3.2 m -87.85 159.5 48.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 18.5 Cg_endo -74.97 142.38 27.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 40.1 mt-10 -85.26 -13.01 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.43 ' N ' ' HB2' ' A' ' 16' ' ' PRO . 11.4 m-85 -48.64 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -152.23 19.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 4.0 t -128.24 165.47 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.17 -56.15 6.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 15' ' ' THR . 1.8 pt -60.81 -141.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -127.38 27.45 4.74 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.593 1.183 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.515 HG22 ' HD3' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -54.48 -53.71 56.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.416 0.715 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD3' HG22 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 106.51 2.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 14' ' ' GLY . 10.7 mt -132.21 12.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 14.9 m -137.49 -166.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 59.8 m-85 -125.35 148.81 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.636 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -127.53 162.41 26.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.575 ' O ' ' CE1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' CG ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 18' ' ' SER . . . 70.03 125.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 19' ' ' PHE . . . 58.34 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.355 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.488 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . 30.36 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.388 1.055 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -137.88 -49.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 7' ' ' PRO . 56.8 t -85.95 144.12 38.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.758 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.98 137.47 21.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.0 pt-20 -102.91 32.06 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -80.65 86.45 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.854 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -115.99 -32.8 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.854 HG23 ' HD1' ' A' ' 10' ' ' PHE . 58.7 t -81.82 158.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.31 43.17 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 HG11 ' A' ' 11' ' ' VAL . 1.8 pt -133.92 -152.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -119.23 37.83 3.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.601 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -90.1 -61.8 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.759 . . . . 0.0 110.417 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 14' ' ' GLY . 4.3 mt -123.02 41.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.494 ' CB ' ' HA2' ' A' ' 2' ' ' GLY . 3.6 m -162.64 -172.81 3.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 3.6 m-85 -125.48 153.48 43.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CG ' ' HA3' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -117.99 -169.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.476 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -159.99 -43.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -152.15 35.07 0.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.767 . . . . 0.0 109.336 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -84.18 -158.15 27.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -113.66 -42.55 3.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 0.782 . . . . 0.0 109.569 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 20' ' ' TYR . 31.8 m -87.7 143.33 33.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 131.81 14.66 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' O ' ' CB ' ' A' ' 16' ' ' PRO . 8.6 pt-20 -94.31 33.56 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -85.49 87.55 7.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.699 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -115.08 -18.77 11.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.699 HG23 ' HD1' ' A' ' 10' ' ' PHE . 10.2 t -93.25 162.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 13' ' ' ILE . . . -83.37 -43.7 7.3 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.555 1.16 . . . . 0.0 110.97 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.48 ' O ' ' O ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -56.05 -157.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 0.751 . . . . 0.0 109.249 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.677 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -118.67 42.08 1.88 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.439 1.087 . . . . 0.0 111.057 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.511 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -83.12 -57.28 0.44 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.388 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.511 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.5 Cg_endo -74.99 101.08 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.546 1.814 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 14' ' ' GLY . 5.5 mt -132.05 47.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.403 1.064 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.476 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 65.6 m -156.1 -171.59 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 38.6 m-85 -132.3 153.37 50.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.64 ' O ' HG22 ' A' ' 6' ' ' VAL . 40.0 t80 -122.72 168.14 12.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.588 ' N ' ' CD1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.93 116.17 0.38 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 52.1 64.51 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.43 -141.28 5.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -130.79 -47.49 1.04 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.614 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 7' ' ' PRO . 57.8 t -94.68 142.14 24.34 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.97 123.6 8.02 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.516 1.798 . . . . 0.0 111.089 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 14.5 pt-20 -89.58 32.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.365 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 35.2 m-85 -77.74 87.99 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.7 OUTLIER -112.11 -19.9 12.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' HD1' ' A' ' 10' ' ' PHE . 4.8 t -83.76 151.06 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.42 -47.25 71.64 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 14' ' ' GLY . 1.3 pt -64.2 -146.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -129.37 48.83 0.95 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.496 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -84.27 -51.96 0.56 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.494 0.761 . . . . 0.0 110.455 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.09 66.36 6.1 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 18.3 mm -93.97 57.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 8' ' ' GLU . 0.5 OUTLIER -160.57 -179.38 7.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.05 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.434 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 1.3 m-85 -128.87 144.0 51.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.9 p90 -113.91 178.0 4.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.42 107.05 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 44.31 82.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 0.0 109.256 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.51 -132.17 3.28 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -127.48 -52.08 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.423 0.72 . . . . 0.0 109.644 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.728 HG13 ' HD2' ' A' ' 7' ' ' PRO . 63.8 t -100.5 143.83 27.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.728 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.1 Cg_endo -75.01 151.25 39.25 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.545 1.813 . . . . 0.0 110.98 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 9' ' ' TYR . 1.0 OUTLIER -100.52 -28.84 12.69 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.089 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.586 ' C ' ' O ' ' A' ' 8' ' ' GLU . 74.5 m-85 -18.04 89.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 11' ' ' VAL . 38.6 p90 -120.54 -33.19 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.695 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -95.83 -170.61 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.695 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -138.42 50.84 0.79 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.575 HG12 HG11 ' A' ' 11' ' ' VAL . 6.8 pt -129.06 2.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.793 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.29 19.55 76.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.458 1.099 . . . . 0.0 111.057 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.522 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -82.67 -57.73 0.45 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.367 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.656 ' CD ' HG12 ' A' ' 11' ' ' VAL . 18.4 Cg_endo -75.01 67.52 5.92 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 17' ' ' ILE . 44.9 mm -107.23 52.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.406 ' HB2' ' N ' ' A' ' 1' ' ' GLY . 15.8 m -157.64 -172.83 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.953 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 7' ' ' PRO . 8.7 m-85 -132.77 134.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 6' ' ' VAL . 30.9 t80 -92.76 154.92 18.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.471 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -172.8 -65.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.67 66.22 1.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.505 0.767 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.451 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -115.82 -154.9 10.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -120.65 -43.83 2.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 0.782 . . . . 0.0 109.585 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.594 HG23 ' HD2' ' A' ' 7' ' ' PRO . 7.2 p -88.43 141.95 30.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HD2' HG23 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.94 123.03 7.61 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.49 1.784 . . . . 0.0 111.045 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.602 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 13.8 pt-20 -86.87 39.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -84.82 83.93 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 12.4 p90 -108.97 -39.79 5.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -89.42 23.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 13' ' ' ILE . . . 36.13 -120.56 0.57 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.547 1.155 . . . . 0.0 111.032 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 14' ' ' GLY . 3.4 pt 35.67 -152.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.417 0.716 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 13' ' ' ILE . . . -119.33 42.02 1.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.658 ' HB ' ' HD3' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -101.84 -64.7 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD3' ' HB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 87.54 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mt -119.35 57.01 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.471 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 69.5 m -156.03 179.36 9.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 49.8 m-85 -124.17 148.0 47.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.483 ' O ' HG12 ' A' ' 6' ' ' VAL . 4.2 t80 -117.89 165.24 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.582 1.176 . . . . 0.0 110.996 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' ALA . . . 162.2 115.79 0.36 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 2' ' ' GLY . . . 55.68 105.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 0.793 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.38 -150.86 6.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.092 . . . . 0.0 111.021 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -124.03 -50.83 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 0.772 . . . . 0.0 109.601 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -96.48 153.76 38.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 125.65 9.38 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.511 1.795 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 1.8 pt-20 -90.28 33.06 0.9 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -78.98 86.99 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -113.72 -20.74 11.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.798 HG13 ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -126.17 -166.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.798 ' N ' HG13 ' A' ' 11' ' ' VAL . . . -121.81 -135.22 4.69 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 12' ' ' GLY . 1.5 pt 54.88 12.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 12' ' ' GLY . . . 56.94 37.85 81.23 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.565 1.166 . . . . 0.0 111.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.587 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -89.59 -60.79 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.572 0.807 . . . . 0.0 110.336 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.708 ' HG3' HG12 ' A' ' 11' ' ' VAL . 18.5 Cg_endo -74.91 67.06 5.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.055 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.757 HG22 ' O ' ' A' ' 17' ' ' ILE . 45.1 mm -104.7 35.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 41.2 m -137.39 -174.74 3.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -125.09 144.5 50.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.03 162.16 16.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.502 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -168.85 -128.23 0.98 Allowed Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.91 84.19 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.91 -166.51 12.07 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.88 -45.78 3.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 0.735 . . . . 0.0 109.599 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.818 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -85.52 145.48 42.19 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.818 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.4 Cg_endo -74.96 140.67 25.84 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.752 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 37.3 mt-10 -84.67 -12.69 53.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 86.0 m-85 -60.67 72.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.752 ' CD2' ' O ' ' A' ' 8' ' ' GLU . 1.8 p90 -119.57 -24.17 6.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.794 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -97.19 167.19 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.48 -52.83 19.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.794 HG22 ' CG1' ' A' ' 11' ' ' VAL . 9.8 tp -50.31 163.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.573 0.808 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.584 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -89.47 18.35 46.62 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.599 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -61.07 -48.95 90.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 110.379 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.615 ' HB2' ' C ' ' A' ' 8' ' ' GLU . 18.3 Cg_endo -74.93 95.77 0.99 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.544 1.813 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.584 HD11 ' O ' ' A' ' 14' ' ' GLY . 20.7 mm -122.78 -9.37 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.365 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.502 ' HB2' ' N ' ' A' ' 2' ' ' GLY . 0.0 OUTLIER -108.27 -171.1 1.79 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' A' ' 2' ' ' GLY . 4.4 m-85 -122.95 137.43 54.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' O ' HG12 ' A' ' 6' ' ' VAL . 27.2 t80 -103.86 157.96 16.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 111.076 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.435 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -162.31 -78.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.87 62.15 0.83 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 0.736 . . . . 0.0 109.314 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.15 -176.42 33.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.409 1.068 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -93.18 -50.0 5.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 109.662 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 3.3 m -84.26 164.85 41.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' ' 6' ' ' VAL . 18.6 Cg_endo -74.93 130.57 13.47 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HG3' ' CE2' ' A' ' 10' ' ' PHE . 10.9 tt0 -84.66 -4.46 59.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 17' ' ' ILE . 89.5 m-85 -73.31 82.89 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 8' ' ' GLU . 1.4 p90 -108.81 -20.61 13.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 111.023 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.756 ' CG1' HG22 ' A' ' 13' ' ' ILE . 0.4 OUTLIER -101.45 162.05 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.234 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.99 -53.55 18.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.756 HG22 ' CG1' ' A' ' 11' ' ' VAL . 10.7 tp -49.64 161.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -90.19 38.03 3.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.663 ' HB ' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -82.21 -48.66 0.9 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 67.67 5.9 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.559 1.821 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 20.6 mm -95.58 58.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.585 1.178 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 15.7 m -162.83 -164.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.477 ' HB3' ' O ' ' A' ' 6' ' ' VAL . 1.2 m-85 -132.53 140.64 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.434 ' O ' HG22 ' A' ' 6' ' ' VAL . 6.6 t80 -106.73 179.11 4.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.498 1.124 . . . . 0.0 110.927 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' HA3' ' CD2' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -171.69 -80.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.86 50.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 0.768 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . -82.53 -152.66 11.21 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -104.89 -50.07 3.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.542 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.715 HG22 ' HD2' ' A' ' 7' ' ' PRO . 0.5 OUTLIER -108.29 161.29 23.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.715 ' HD2' HG22 ' A' ' 6' ' ' VAL . 18.3 Cg_endo -75.03 151.3 39.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.515 1.798 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.664 ' O ' ' C ' ' A' ' 9' ' ' TYR . 0.3 OUTLIER -94.22 -50.15 5.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.664 ' C ' ' O ' ' A' ' 8' ' ' GLU . 19.2 m-85 3.76 84.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.955 ' CE2' HG23 ' A' ' 11' ' ' VAL . 24.6 p90 -126.74 -47.59 1.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.955 HG23 ' CE2' ' A' ' 10' ' ' PHE . 89.7 t -48.44 167.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.548 ' N ' HG12 ' A' ' 11' ' ' VAL . . . -97.23 29.53 10.63 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.532 HD12 ' H ' ' A' ' 14' ' ' GLY . 1.0 OUTLIER -139.56 -145.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 0.801 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.532 ' H ' HD12 ' A' ' 13' ' ' ILE . . . -123.18 45.35 1.2 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.514 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -90.88 -57.66 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.37 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 18.4 Cg_endo -74.99 101.87 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.77 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.543 ' HA ' ' CZ ' ' A' ' 9' ' ' TYR . 0.2 OUTLIER -133.99 36.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.456 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 4.3 m -142.09 -165.83 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.972 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 7.6 m-85 -123.6 147.18 47.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.498 ' CA ' ' HA3' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -129.52 173.35 10.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.441 1.088 . . . . 0.0 110.992 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' C ' ' HB2' ' A' ' 18' ' ' SER . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.462 ' CA ' ' HB3' ' A' ' 18' ' ' SER . . . -169.4 -138.02 2.39 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' GLY . . . -46.57 -56.97 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.273 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' ALA . . . 29.88 -146.83 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -141.05 -51.86 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.659 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 20' ' ' TYR . 3.2 m -87.85 159.5 48.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 9' ' ' TYR . 18.5 Cg_endo -74.97 142.38 27.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.669 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 40.1 mt-10 -85.26 -13.01 51.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.43 ' N ' ' HB2' ' A' ' 16' ' ' PRO . 11.4 m-85 -48.64 92.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.669 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -152.23 19.17 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 12' ' ' GLY . 4.0 t -128.24 165.47 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' N ' ' CG1' ' A' ' 11' ' ' VAL . . . -72.17 -56.15 6.53 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.461 HG13 ' H ' ' A' ' 15' ' ' THR . 1.8 pt -60.81 -141.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 0.778 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 17' ' ' ILE . . . -127.38 27.45 4.74 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.593 1.183 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.515 HG22 ' HD3' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -54.48 -53.71 56.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.416 0.715 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' HD3' HG22 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 106.51 2.29 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.468 1.772 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' CG1' ' O ' ' A' ' 14' ' ' GLY . 10.7 mt -132.21 12.8 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CA ' ' A' ' 2' ' ' GLY . 14.9 m -137.49 -166.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.902 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 59.8 m-85 -125.35 148.81 48.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.636 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.8 OUTLIER -127.53 162.41 26.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.575 ' O ' ' CE1' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' HA3' ' CG ' ' A' ' 20' ' ' TYR . . . . . . . . 0 CA--C 1.531 1.072 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 18' ' ' SER . . . 70.03 125.92 0.05 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 19' ' ' PHE . . . 58.34 -85.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.355 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' HA3' ' CA ' ' A' ' 20' ' ' TYR . . . 30.36 -147.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.388 1.055 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -137.88 -49.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.583 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.758 HG13 ' HD2' ' A' ' 7' ' ' PRO . 56.8 t -85.95 144.12 38.68 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.257 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.758 ' HD2' HG13 ' A' ' 6' ' ' VAL . 18.5 Cg_endo -74.98 137.47 21.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.459 1.768 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.0 pt-20 -102.91 32.06 3.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -80.65 86.45 5.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.854 ' HD1' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -115.99 -32.8 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.854 HG23 ' HD1' ' A' ' 10' ' ' PHE . 58.7 t -81.82 158.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.31 43.17 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.059 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.517 HD13 HG11 ' A' ' 11' ' ' VAL . 1.8 pt -133.92 -152.05 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.727 ' O ' HD11 ' A' ' 17' ' ' ILE . . . -119.23 37.83 3.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.601 ' CB ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -90.1 -61.8 0.21 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 0.759 . . . . 0.0 110.417 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.02 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.727 HD11 ' O ' ' A' ' 14' ' ' GLY . 4.3 mt -123.02 41.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.494 ' CB ' ' HA2' ' A' ' 2' ' ' GLY . 3.6 m -162.64 -172.81 3.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' HA ' ' O ' ' A' ' 6' ' ' VAL . 3.6 m-85 -125.48 153.48 43.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.54 ' CG ' ' HA3' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -117.99 -169.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.55 1.156 . . . . 0.0 111.042 179.979 . . . . . . . . 0 0 . 1 stop_ save_