data_2eeh_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 2eeh _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 ' 10' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.6 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.82 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 9.0 m170 -104.62 141.6 36.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.15 129.52 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.32 149.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -130.68 105.13 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -96.55 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.39 -19.45 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 13.3 p90 -122.45 154.9 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 125.89 51.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 m -107.88 153.82 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -128.74 150.94 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.4 mm -123.59 121.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 15.7 m-85 -120.25 142.23 49.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 t -79.46 141.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -51.57 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.13 163.85 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.02 108.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -39.04 152.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.81 147.66 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.55 34.72 5.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.31 178.4 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -29.3 61.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.66 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -33.77 44.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.93 -35.57 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.77 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -6.72 18.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.522 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 21.8 tp -73.76 129.89 38.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.82 -178.65 5.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 9.5 t -81.15 139.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.8 40.36 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -145.14 155.49 43.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 2.2 tttt -128.45 120.32 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.37 114.62 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.1 p -92.69 -31.15 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -152.61 155.88 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.57 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.2 p -156.19 144.1 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.49 24.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.83 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 124.01 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.66 131.87 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.57 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 11.3 mt -115.65 43.14 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -90.6 -13.87 33.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.29 42.51 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.05 160.14 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 t -80.13 157.48 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.1 tpp -59.25 -56.65 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.59 -69.95 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -40.44 -52.9 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.54 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 69.9 t -49.03 -55.5 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.8 tttt -44.43 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.23 -40.06 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 9.2 mt -60.76 -30.24 69.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -106.06 5.86 30.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -119.3 84.47 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.038 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.8 t 160.41 156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -104.59 -5.03 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.23 90.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -84.46 143.67 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.49 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 27.8 mmm -127.32 120.33 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.98 159.94 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -112.46 114.86 27.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -95.04 150.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.413 ' N ' HG22 ' A' ' 11' ' ' ILE . 11.3 m170 -113.39 137.62 51.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.89 128.71 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 149.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.36 102.92 6.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.467 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 68.3 t -95.55 130.26 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.16 -16.22 18.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.428 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 12.2 p90 -123.69 155.79 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 131.88 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 38' ' ' ILE . 15.9 m -108.69 155.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -126.86 157.46 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 28' ' ' VAL . 20.2 mm -123.79 129.74 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m-85 -127.43 141.28 51.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 t -79.5 142.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.7 -49.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.1 tmtt? -133.14 166.1 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.33 111.76 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.42 144.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.8 145.47 50.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.87 40.57 5.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.08 162.46 13.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' ALA . 19.1 p -57.72 -32.58 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -61.01 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -36.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.04 -35.45 31.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -64.5 -21.61 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.69 -7.61 19.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.428 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -70.93 128.16 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.35 -173.8 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -87.4 138.87 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.2 34.38 5.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 11.4 tttt -126.57 111.03 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.54 111.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -90.0 -24.61 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -157.56 155.5 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.464 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.6 p -157.93 140.62 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.82 18.66 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.73 -35.91 3.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 123.88 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.32 132.59 38.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 10.0 mt -113.22 31.71 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -76.77 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -151.95 30.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -105.85 160.0 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.0 p -78.9 -165.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.7 ttm -98.31 -51.73 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.24 -61.26 4.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -56.32 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.64 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' THR . 40.8 t -48.51 -57.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -42.36 -69.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.44 -38.67 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.62 -26.79 68.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.4 t -110.04 5.88 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . 3.8 m -123.32 77.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t 176.23 154.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -12.49 19.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -156.06 91.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.87 144.87 28.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -126.58 89.72 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.467 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 30.9 mtm -91.28 142.03 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.487 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 30.6 mmm -128.91 120.71 26.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 28.8 m -103.05 166.35 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.1 101.65 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.2 mm -95.79 140.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 16.0 m-70 -112.31 146.89 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.38 133.71 51.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 15' ' ' ARG . 2.6 p -144.91 150.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 10.9 mtm180 -131.42 102.4 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -98.8 138.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' HG ' ' CE1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -11.99 35.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CB ' HD21 ' A' ' 54' ' ' LEU . 5.2 p90 -127.36 159.42 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 124.34 50.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.77 147.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -114.18 161.92 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mm -79.61 154.55 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.244 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 19.5 m-85 -136.25 150.38 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.28 131.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -107.48 -52.65 2.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 167.52 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.53 109.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.69 128.75 21.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.24 163.5 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.5 27.58 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.23 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.9 p -77.75 -25.01 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -68.51 -68.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -27.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -88.45 -35.7 16.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -64.11 -21.64 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.47 -10.17 11.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 26' ' ' PHE . 13.4 tp -71.95 129.91 39.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -172.42 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -82.65 142.12 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.64 37.06 7.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -120.83 153.97 36.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 8.9 tttt -128.81 107.66 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.9 mt -73.1 116.31 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.1 p -100.54 -31.28 11.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.78 153.52 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.486 ' CG2' ' CG2' ' A' ' 60' ' ' ILE . 94.8 t -151.72 123.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.23 19.27 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 -34.82 5.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.93 130.69 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.66 131.66 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.16 45.14 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.21 1.2 37.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 p -179.09 67.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -141.43 153.6 45.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 t -59.9 139.93 57.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.5 tpp -53.42 -57.36 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.09 -65.32 0.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -39.85 -63.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 110.029 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.88 -49.8 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 79' ' ' VAL . 75.0 t -61.72 -56.78 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -39.93 -29.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -90.2 -45.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' VAL . 4.5 mt -58.58 -16.46 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -107.94 5.53 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 1.2 t -129.69 85.67 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.7 t 159.62 138.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t -89.64 -2.61 58.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -162.69 88.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.47 145.02 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.62 89.61 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.486 ' CG ' HG21 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -100.63 148.86 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.402 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -129.39 119.54 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.6 m -102.44 153.54 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt-85 -111.53 111.48 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.64 152.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 13.5 m-70 -118.36 136.26 53.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.632 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.471 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -99.72 128.98 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG22 ' CB ' ' A' ' 52' ' ' ALA . 2.8 p -145.9 150.54 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.538 HH21 ' NE ' ' A' ' 85' ' ' ARG . 23.1 mtp180 -133.79 105.76 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.56 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 70.7 t -98.93 124.68 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.89 45.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.3 p90 -128.66 155.29 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.69 126.14 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.68 149.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -117.29 156.85 27.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 mm -95.43 128.29 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 44.7 m-85 -119.89 141.64 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 HG23 ' CD1' ' A' ' 60' ' ' ILE . 18.2 t -80.79 146.53 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -47.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 38.8 tptt -139.4 156.88 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 43.0 t -138.06 107.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.35 145.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.21 147.88 36.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 28.0 10.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.91 179.61 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.4 m -75.88 -30.86 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.08 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -27.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -87.1 -36.43 18.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -63.87 -22.78 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.31 -3.24 18.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.7 tp -73.61 132.17 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.01 -178.9 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.7 t -88.08 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.52 -4.92 62.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.08 159.19 34.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 35.2 tttt -128.35 103.27 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CD1' HG23 ' A' ' 40' ' ' VAL . 5.1 mt -72.85 120.2 21.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.0 p -103.56 -17.76 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.3 tt0 -160.68 158.77 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 80' ' ' LEU . 1.5 p -157.73 136.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.17 21.7 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.59 -43.49 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 122.41 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.87 135.07 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 13.4 mt -107.77 37.62 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.06 -0.9 57.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.69 34.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.25 155.11 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -67.99 -164.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.8 ttm -94.77 -51.68 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.96 -64.74 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.43 -61.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.044 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.08 -47.66 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' LEU . 65.8 t -66.31 -60.78 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -35.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.65 -45.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 63' ' ' VAL . 1.6 mt -59.93 -31.09 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -87.19 5.27 38.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' SER . 8.2 t -134.06 90.92 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER 159.28 142.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -97.25 33.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.538 ' NE ' HH21 ' A' ' 15' ' ' ARG . 6.1 mtp180 169.4 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.1 mp -93.51 131.24 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.463 ' NE2' ' SD ' ' A' ' 89' ' ' MET . 3.4 t-80 -119.34 89.77 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.56 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 6.2 mtm -89.99 147.61 23.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.4 mmt -131.46 115.28 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.6 m -102.76 158.09 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.23 100.97 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -97.88 141.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.43 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 12.4 m-70 -99.98 140.75 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.6 127.46 53.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -145.74 147.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 4.7 mtm180 -130.02 103.4 6.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.23 118.9 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.43 -15.29 23.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 11.7 p90 -124.61 158.58 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 128.69 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -107.85 156.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -126.6 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mm -89.75 128.61 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -119.97 161.08 21.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 t -93.44 147.93 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -48.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 21.4 tptm -140.25 153.3 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 42.9 t -134.83 105.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 125.65 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.07 159.08 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.95 36.64 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 p -108.73 -178.02 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 4.7 m -71.15 -36.13 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.2 -72.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -32.99 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -77.67 -39.64 44.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -64.18 -23.53 67.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.88 -2.28 17.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.0 tp -70.79 128.37 35.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.2 p -119.7 179.99 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.06 138.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.13 14.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.5 164.8 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -130.0 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' A' ' 63' ' ' VAL . 8.6 mt -75.73 118.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -100.93 -23.56 14.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 20.0 tt0 -157.72 156.86 32.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' A' ' 60' ' ' ILE . 82.5 t -153.53 126.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.48 24.95 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.25 -47.28 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 124.82 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -83.39 122.95 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -102.71 43.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.28 -12.59 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -167.72 55.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.06 151.61 49.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.436 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 t -67.47 136.5 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 tpp -44.22 -49.37 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.07 -70.21 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -40.11 -60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.75 -45.27 14.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' THR . 99.1 t -65.84 -57.44 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -44.0 -39.88 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.3 t -79.89 -45.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.15 -19.33 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' VAL . 12.0 t -109.3 5.29 23.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -130.08 81.79 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.02 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.3 m -94.8 7.02 47.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -166.73 97.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.3 mp -88.15 123.64 33.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -110.41 87.98 2.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.481 ' CB ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.17 142.89 28.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.481 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 31.7 mmm -133.45 122.27 23.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.5 m -101.71 159.06 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -107.88 101.91 11.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.85 144.14 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 11.8 m-70 -109.36 134.1 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.476 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.5 OUTLIER -98.72 126.98 44.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -145.17 147.89 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -131.65 103.82 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG22 ' CE ' ' A' ' 88' ' ' MET . 25.0 t -92.03 139.84 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HG ' ' CZ ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.57 -14.22 34.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 24' ' ' LEU . 11.4 p90 -123.21 155.32 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.74 126.9 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -108.72 157.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -124.44 163.75 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.3 mm -95.6 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 13.3 m-85 -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.44 147.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.31 -50.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.77 157.34 47.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.96 102.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.56 128.5 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.26 165.81 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.56 34.02 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -104.18 -178.08 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.039 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.6 p -75.74 -35.27 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.18 -64.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -36.07 58.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -63.37 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.86 -13.79 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 tp -67.67 128.52 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -174.07 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -89.85 140.75 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.27 23.7 8.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.02 159.65 35.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.28 124.53 32.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.23 111.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.445 HG22 ' CD ' ' A' ' 59' ' ' LYS . 43.8 p -94.13 -19.23 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -156.94 153.64 28.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.546 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.9 p -160.65 134.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 65.13 11.82 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.9 -31.93 7.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.14 136.75 42.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.07 141.95 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.546 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 12.8 mt -118.21 36.68 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -86.68 -10.29 54.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 p -151.69 38.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.64 152.87 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 t -64.78 -171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttm -90.52 -61.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.02 -66.23 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -39.79 -54.12 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.4 61.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' LEU . 92.6 t -56.27 -52.79 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.0 -43.37 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.91 -38.59 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD2' HG22 ' A' ' 63' ' ' VAL . 67.7 mt -69.03 -17.92 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.7 p -100.6 4.86 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -137.04 92.34 2.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.57 131.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -88.03 6.22 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.2 91.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 80' ' ' LEU . 16.9 mt -87.08 142.52 27.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -123.15 89.73 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' HG22 ' A' ' 16' ' ' VAL . 17.0 mtm -90.6 147.61 23.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 0.9 OUTLIER -130.13 115.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.2 m -102.43 158.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -117.21 103.66 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.6 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.0 mm -87.28 148.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 12.6 m170 -105.1 142.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.6 125.92 53.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 15' ' ' ARG . 5.7 p -145.28 146.04 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' N ' HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -124.43 103.59 8.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.7 t -99.13 157.45 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.1 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -12.11 40.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.9 p90 -124.82 155.1 39.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 129.41 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.1 154.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -122.88 153.35 39.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -131.37 116.97 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 32.6 m-85 -112.22 137.59 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t -74.84 147.19 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.43 -49.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.3 tptt -139.86 153.57 47.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 50' ' ' GLU . 63.5 t -133.31 106.87 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 140.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' SER . 5.5 mm-40 -78.48 170.25 16.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.81 30.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.5 p -104.33 177.78 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.6 t -76.16 -29.88 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.57 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HG3' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mt-10 -43.86 -33.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -35.46 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.94 -19.68 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -11.23 16.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.37 130.61 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.92 179.01 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.269 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 76.7 t -72.19 142.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.1 39.75 4.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -139.18 152.6 47.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 49.8 tttt -129.17 104.99 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.9 mt -66.92 113.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.4 p -91.98 -31.71 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -153.65 155.36 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.4 p -156.52 142.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.07 21.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.24 3.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 124.85 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.29 127.2 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 4.8 mt -109.67 48.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.09 11.38 30.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m 170.44 48.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.64 162.01 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 p -77.85 141.64 39.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.2 ttm -46.47 -60.86 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.84 -66.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 m -39.37 -63.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.01 -53.85 9.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' THR . 97.7 t -55.49 -50.19 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -30.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -44.02 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 63' ' ' VAL . 32.3 mt -61.84 -13.73 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' VAL . 7.8 t -108.89 -8.08 15.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.2 t -122.27 89.42 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.4 m 159.45 129.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -91.12 22.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -85.04 140.69 30.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.57 89.69 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 17.7 mtm -91.33 143.15 26.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 42.3 mmm -128.43 117.31 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 35.9 m -102.72 157.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -109.81 119.13 38.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.8 mm -92.46 151.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.411 ' N ' HG22 ' A' ' 11' ' ' ILE . 11.8 m170 -108.51 137.67 46.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.58 129.1 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG22 ' CB ' ' A' ' 52' ' ' ALA . 3.5 p -145.61 149.32 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.0 104.88 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -96.66 117.58 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.85 -15.71 21.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 8.9 p90 -126.05 154.55 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.06 132.84 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.33 155.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.27 157.15 42.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mm -98.58 137.02 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 25.6 m-85 -122.03 158.38 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -93.7 147.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.57 -49.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.5 tptt -137.71 155.46 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 40.1 t -138.61 103.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.52 123.84 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.21 162.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.26 28.11 3.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 p -105.46 -178.64 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -72.79 -34.29 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.61 -70.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -30.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -80.82 -39.9 25.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -64.33 -22.04 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.74 -10.93 12.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.529 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 14.4 tp -68.52 126.14 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.89 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 6.6 t -89.01 142.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.35 42.72 4.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -126.13 159.24 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.3 tttt -130.23 97.62 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.4 mt -69.71 114.34 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.5 p -94.23 -33.05 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 18.8 tt0 -146.49 154.64 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.535 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 17.3 t -143.11 145.39 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.6 OUTLIER 38.32 32.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 89.26 -43.9 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.0 120.63 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.9 t -74.01 131.01 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 mt -108.69 31.5 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 2.4 mt-10 -86.21 100.51 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER 84.8 26.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -102.67 148.06 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.8 t -63.6 165.37 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 tpp -74.54 -54.79 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -69.91 0.44 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -41.04 -54.67 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.89 19.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' THR . 73.7 t -45.48 -51.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -45.88 -71.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.76 -39.16 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 10.0 mt -61.88 -26.25 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' VAL . 12.3 t -110.79 6.21 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 7.2 t -126.71 94.69 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 159.8 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.29 -5.2 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -156.06 87.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 86' ' ' LEU . 5.3 mp -83.75 127.13 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 88.05 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.633 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.535 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 32.8 mtm -90.49 134.37 34.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 23.5 mmm -122.4 119.6 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.54 157.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -111.75 108.63 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.443 ' CG2' ' HE2' ' A' ' 89' ' ' MET . 3.0 mm -95.2 142.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.2 m170 -101.21 126.32 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.467 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.6 128.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.59 150.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -134.91 109.44 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.59 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 96.3 t -99.41 144.09 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.2 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.22 -10.46 41.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 8.7 p90 -125.06 154.93 40.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.79 118.21 35.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG13 ' CD2' ' A' ' 26' ' ' PHE . 33.6 m -108.05 143.71 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -114.26 157.56 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 mm -114.42 130.59 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 6.5 m-85 -119.29 139.9 51.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.73 140.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.95 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -134.12 159.01 42.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.82 110.14 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 131.65 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.65 164.84 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 40.76 29.86 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.85 -178.76 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.9 m -74.63 -34.87 62.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.3 -65.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -86.79 -35.44 19.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.39 -21.86 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.41 -7.22 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 26' ' ' PHE . 15.1 tp -72.53 129.27 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -171.96 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.1 t -84.99 143.68 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.46 7.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -124.65 146.57 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 33.4 tttt -122.17 108.68 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.63 119.86 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.5 p -102.0 -18.63 15.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 28.5 tt0 -159.27 158.18 32.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 1.5 p -156.09 137.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.15 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.11 -43.59 2.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 124.54 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.74 140.62 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 9.3 mt -113.75 32.79 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.43 8.24 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 t -178.69 46.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.45 155.91 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -78.22 148.35 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.8 tpp -46.89 -54.82 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.29 -69.64 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.24 -58.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.22 -44.5 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' GLY . 77.9 t -68.29 -51.62 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.28 -27.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -91.96 -46.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 63.7 mt -62.22 -13.4 27.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -109.31 5.32 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 31.1 t -139.67 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.5 m 159.88 129.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 m -81.32 -3.17 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -162.46 96.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 23.5 mt -84.47 146.53 27.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -126.03 89.03 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.59 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 19.2 mtm -91.07 146.72 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -130.23 116.04 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.78 156.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -110.83 110.34 20.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.7 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -88.97 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 11.8 m170 -99.48 137.35 38.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.1 131.65 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 15' ' ' ARG . 2.9 p -145.59 148.15 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 69.6 mtt180 -129.33 111.44 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' CG2' ' HE3' ' A' ' 88' ' ' MET . 94.4 t -108.46 149.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.411 ' HG ' ' CE1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.77 -8.1 45.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 1.9 p90 -131.54 157.6 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.36 128.97 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 m -110.28 151.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 30' ' ' GLY . 23.8 ptt85 -101.52 152.69 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.19 147.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 59' ' ' LYS . 18.1 m-85 -138.03 150.43 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 60' ' ' ILE . 13.1 t -88.37 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.98 -42.81 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.5 tptm -139.29 154.23 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 HG11 ' CG ' ' A' ' 50' ' ' GLU . 42.3 t -137.3 103.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.63 130.11 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.32 164.23 24.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.58 31.05 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -73.69 -35.27 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.93 -66.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' CG ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -44.71 -31.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -85.29 -35.35 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.94 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.05 -10.94 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 12.9 tp -73.82 126.2 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -175.05 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.9 t -79.83 140.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 34.11 6.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -116.98 156.43 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 9.7 ttpt -129.54 97.76 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 40' ' ' VAL . 5.9 mt -72.14 114.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.4 p -97.96 -32.45 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 19.0 tt0 -146.84 154.72 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.506 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 23.1 t -144.79 147.06 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER 39.09 30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 89.64 -42.87 2.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -54.61 119.48 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -72.27 127.5 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mt -116.24 32.09 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 p -132.65 46.8 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -123.91 147.83 47.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -68.54 -172.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 ttm -85.47 -57.92 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.92 -67.18 0.78 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -49.86 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.56 80.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' THR . 79.3 t -67.97 -51.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -46.82 -31.69 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.32 -45.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD2' HD23 ' A' ' 86' ' ' LEU . 8.4 mt -61.55 -13.7 23.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' VAL . 13.8 t -109.59 5.34 22.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -131.2 83.2 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.31 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -92.79 25.64 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 179.8 93.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.5 mp -88.38 117.61 27.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 47.4 m170 -103.67 87.71 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.506 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 12.7 mtm -91.29 139.21 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 25.4 mmm -126.79 119.37 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 31.4 m -102.52 155.64 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -110.2 122.79 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 HD13 ' CG ' ' A' ' 91' ' ' ARG . 3.3 mm -95.16 140.68 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 10.6 m-70 -108.76 129.94 55.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.467 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.66 128.35 41.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.63 148.63 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HG3' ' NE2' ' A' ' 87' ' ' HIS . 9.1 mtt180 -128.72 107.31 9.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.465 ' CG2' ' HE1' ' A' ' 88' ' ' MET . 25.0 t -100.21 133.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.03 -8.9 45.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CD2' HD22 ' A' ' 54' ' ' LEU . 3.3 p90 -129.43 155.67 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -106.12 126.08 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG21 ' CE ' ' A' ' 73' ' ' MET . 17.3 m -108.43 146.82 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -112.06 156.17 22.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -102.04 133.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 22.0 m-85 -128.99 141.01 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.13 149.19 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 1.1 p -125.5 -42.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -151.07 168.66 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 55' ' ' CYS . 58.4 t -143.58 109.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.54 137.33 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 152.29 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.54 42.69 10.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.3 p -108.49 173.06 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ALA . 62.8 m -69.34 -29.68 67.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.16 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -41.24 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.52 -39.67 58.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.09 -24.58 67.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.2 2.06 20.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 26' ' ' PHE . 34.3 tp -82.35 127.72 33.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.76 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . 80.1 m -150.15 150.21 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.258 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -54.25 152.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.35 -3.53 47.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.11 160.86 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -128.87 111.2 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.84 113.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -96.93 -19.85 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -159.13 154.91 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.556 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 2.3 p -160.2 137.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' N ' HG21 ' A' ' 63' ' ' VAL . 0.8 OUTLIER 59.8 16.49 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.62 -25.52 20.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.62 134.06 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.48 142.21 31.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 7.2 mt -121.52 31.87 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.68 -15.16 58.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.25 50.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.4 158.91 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 t -76.08 169.05 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 28' ' ' VAL . 4.1 ttm -71.8 -58.8 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -38.54 -69.55 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' GLY . 8.3 t -39.0 -60.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.33 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 80' ' ' LEU . 94.5 t -56.66 -57.16 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -38.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -77.37 -44.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 16.0 mt -58.56 -41.46 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t -81.06 5.35 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 9.4 t -127.96 85.45 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 160.46 142.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 6.2 t -97.29 12.27 33.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 84' ' ' SER . 0.0 OUTLIER -171.52 89.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 9.1 mt -84.82 145.71 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -128.28 90.61 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.465 ' HE1' ' CG2' ' A' ' 16' ' ' VAL . 29.2 mtm -89.68 149.06 22.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.1 mmt -129.46 112.61 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.7 m -102.31 158.57 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.461 ' CG ' HD13 ' A' ' 11' ' ' ILE . 32.9 mtt180 -118.73 109.22 15.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.261 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.509 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -97.12 145.41 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 6.8 m170 -102.39 136.83 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.97 130.64 53.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.78 149.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 103.89 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HE1' ' A' ' 88' ' ' MET . 38.6 t -96.66 156.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.15 -12.17 36.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CB ' HD23 ' A' ' 54' ' ' LEU . 9.7 p90 -125.42 157.49 36.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.42 134.95 53.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' CE ' ' A' ' 73' ' ' MET . 13.5 m -114.18 153.18 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.08 158.23 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.6 mm -109.74 137.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 12.2 m-85 -130.43 142.38 50.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 t -79.16 147.03 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.96 -49.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.3 tptp -134.97 150.77 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 40.0 t -136.23 103.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.86 128.23 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' SER . 7.5 pt-20 -67.04 168.7 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.61 31.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.7 p -104.96 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 94.7 p -72.98 -31.55 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -31.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -35.46 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.06 -21.45 66.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.65 -8.94 14.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 26' ' ' PHE . 16.0 tp -78.02 127.39 32.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 m -139.01 -176.05 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.2 t -80.0 136.01 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.49 35.03 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.25 156.21 45.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.7 tttt -129.89 110.1 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.66 114.65 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 91' ' ' ARG . 40.6 p -91.15 -23.58 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.1 tt0 -165.63 157.95 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 80' ' ' LEU . 1.5 p -155.09 136.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.77 27.49 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -40.52 3.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 117.46 4.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 134.67 39.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.6 mt -112.86 27.08 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.84 1.54 34.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -129.99 162.59 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.11 143.33 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.443 ' CE ' HG23 ' A' ' 28' ' ' VAL . 15.6 ttm -46.21 -65.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -37.89 -64.9 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -38.44 -58.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.57 12.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' THR . 83.9 t -52.16 -49.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -41.15 -31.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.57 -40.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 30.5 mt -67.3 -9.85 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.8 p -89.44 -22.17 22.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -115.79 -147.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 55.0 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -64.91 -10.1 26.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -150.65 95.22 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 23.3 mt -83.71 135.77 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.87 87.25 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 109.609 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.466 ' HE1' ' CG2' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -91.75 145.75 24.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 47.7 mmm -132.71 123.34 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.57 156.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 12.2 mmt180 -91.95 162.26 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' NE2' ' A' ' 12' ' ' HIS . 23.9 tpt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.1 mm -98.89 131.14 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' HG23 ' A' ' 90' ' ' VAL . 7.0 m-70 -96.73 168.43 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.15 126.87 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.35 146.68 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -128.73 102.6 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.586 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 72.0 t -96.97 109.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' HG ' ' CZ ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.64 -9.4 51.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CB ' HD21 ' A' ' 54' ' ' LEU . 9.6 p90 -125.82 152.37 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -106.68 124.08 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.427 ' CG2' ' HE2' ' A' ' 73' ' ' MET . 14.2 m -108.6 151.01 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.01 160.94 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 mm -110.32 130.16 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 23.3 m-85 -121.17 139.4 53.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.96 143.0 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -120.21 -39.6 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 169.37 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 44' ' ' GLU . 69.1 t -146.77 125.1 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -47.6 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.45 136.15 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.65 45.45 1.45 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.0 p -109.0 -178.17 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 m -53.53 -46.42 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.14 -70.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -32.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -79.3 -39.26 33.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -64.01 -25.27 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.05 7.61 30.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 26' ' ' PHE . 22.9 tp -82.75 124.87 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 p -138.97 141.29 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -45.11 146.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.83 -11.21 27.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.53 163.73 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 11.5 tttt -130.34 115.3 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.66 114.11 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.7 p -94.93 -21.76 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.0 tt0 -165.51 160.01 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.459 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p -156.54 140.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.14 24.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 93.61 -37.03 3.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 121.52 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 137.25 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 76' ' ' ALA . 18.4 mt -108.09 17.4 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.15 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.8 m -114.62 51.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 152.03 44.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -75.42 162.75 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.427 ' HE2' ' CG2' ' A' ' 28' ' ' VAL . 1.7 ttm -56.4 -57.16 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.22 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.16 -54.85 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -52.29 -51.25 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' VAL . 66.3 t -59.25 -56.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.5 tttt -39.07 -30.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -89.83 -46.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 17.3 mt -59.95 -15.79 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.402 HG21 ' O ' ' A' ' 77' ' ' VAL . 15.3 t -110.61 5.24 20.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 83' ' ' SER . 4.6 t -134.91 89.93 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.1 125.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -75.46 -6.42 50.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 93.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 16.1 mt -83.91 143.06 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -124.56 89.41 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.586 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 24.6 mtm -90.61 142.61 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.485 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 43.1 mmm -125.4 114.73 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 12' ' ' HIS . 27.8 m -102.76 155.52 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CG ' HD11 ' A' ' 11' ' ' ILE . 48.6 mtt85 -106.21 105.19 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -92.1 145.25 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -111.97 150.42 30.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.649 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.9 133.83 54.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' ARG . 2.7 p -145.86 150.1 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.1 mtm180 -131.03 104.8 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG22 ' CE ' ' A' ' 88' ' ' MET . 42.2 t -99.99 118.45 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.628 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 6.45 59.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 20.2 p90 -138.0 158.81 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.72 129.27 55.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.3 m -108.53 154.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -125.37 167.12 15.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.6 mm -107.98 137.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.78 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 59' ' ' LYS . 6.0 m-85 -133.48 143.13 48.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.51 147.78 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.31 -48.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 158.2 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.99 114.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.84 149.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 138.08 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.55 32.78 10.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 170.58 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.06 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.2 t -67.96 -28.01 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.51 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -30.44 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -86.09 -36.54 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.86 -23.14 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.13 -14.26 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.07 142.12 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.725 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.5 174.59 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 108.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 138.48 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.72 -28.8 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.56 156.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.602 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.57 102.8 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -69.45 117.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.8 p -101.33 -19.51 15.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.43 153.94 9.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 2.3 p -155.38 128.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 63' ' ' VAL . 4.2 m120 84.44 -42.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.78 -38.13 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -71.89 128.8 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 129.51 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -105.48 42.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.79 -26.1 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -142.1 37.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 72' ' ' THR . 3.8 m -112.82 143.38 44.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 71' ' ' THR . 15.1 p -60.04 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.3 ttm -95.9 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.3 -67.76 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -50.37 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.21 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.69 -47.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -52.7 -45.76 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.37 -27.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' CD2' HG21 ' A' ' 63' ' ' VAL . 8.4 mt -77.9 -13.62 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 p -106.37 5.58 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -125.78 69.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t 177.02 136.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 t -91.02 3.65 54.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.63 89.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.6 mp -84.46 134.94 34.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -123.96 90.44 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.475 ' CE ' HG22 ' A' ' 16' ' ' VAL . 30.2 mtm -89.83 141.36 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.473 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 32.4 mmm -123.88 116.8 23.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.8 158.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CG ' HD13 ' A' ' 11' ' ' ILE . 1.9 mtp85 -112.9 111.81 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.492 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 2.7 mm -92.94 142.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.411 ' N ' HG21 ' A' ' 11' ' ' ILE . 5.6 m-70 -100.55 150.71 22.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.47 52.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 p -145.54 149.15 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -134.73 105.22 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 43.0 t -93.04 145.67 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -22.41 2.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.621 ' CE2' ' CD2' ' A' ' 24' ' ' LEU . 30.1 p90 -120.74 159.97 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.85 140.27 50.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' A' ' 38' ' ' ILE . 27.8 m -114.53 156.67 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -141.0 166.59 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 15.6 mm -90.64 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 49.6 m-85 -131.22 135.84 47.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.07 128.04 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.17 -54.56 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.84 168.55 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -143.49 106.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -38.39 123.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 148.93 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.45 51.01 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 44' ' ' GLU . 82.6 p -108.94 166.06 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -28.19 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.97 -62.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -29.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -88.34 -34.82 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.92 -21.38 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.05 -12.37 9.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.9 146.42 52.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.98 -171.28 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.16 146.68 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.18 -24.93 24.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 152.39 16.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 22.2 tttt -129.92 109.69 11.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.78 116.01 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.2 p -98.06 -19.23 18.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 21.7 tt0 -164.34 155.48 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 1.3 p -150.52 139.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 1.6 t-20 48.34 24.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 94.46 -34.7 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.09 131.23 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -83.22 146.69 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 23.7 mt -116.98 18.82 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.88 -42.78 57.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 p -124.71 54.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.37 153.58 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 p -71.04 139.28 50.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 tpp -43.63 -62.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.28 -60.77 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -39.6 -66.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -39.99 -51.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 81' ' ' THR . 64.3 t -61.01 -54.24 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -30.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.19 -45.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' VAL . 14.7 mt -60.35 -33.32 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 29.9 p -62.93 -33.89 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -107.14 -141.89 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.445 ' OG ' ' ND2' ' A' ' 64' ' ' ASN . 41.7 t 58.38 111.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -68.7 -8.13 39.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -156.58 95.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 7.6 mt -83.83 130.01 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CD2' ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -117.93 87.67 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.479 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 9.4 mtm -91.4 143.69 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.597 ' SD ' ' CD2' ' A' ' 87' ' ' HIS . 47.4 mmm -129.26 117.01 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 34.6 m -101.96 156.39 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.425 ' CG ' HD13 ' A' ' 11' ' ' ILE . 36.3 mtt180 -107.1 117.82 35.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -99.41 145.35 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 30.4 m-70 -115.11 137.85 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -105.01 136.33 44.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 15' ' ' ARG . 2.2 p -145.57 153.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 5.3 mtm180 -134.26 108.51 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.7 t -104.86 138.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.634 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.73 60.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.8 p90 -135.79 154.38 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.31 137.11 41.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.79 164.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -129.13 162.63 27.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mm -123.73 142.93 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 20.9 m-85 -134.53 142.85 47.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' A' ' 60' ' ' ILE . 10.8 t -81.78 144.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.21 -50.29 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -136.79 155.43 49.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 32.6 t -135.94 105.82 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.27 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 145.97 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.09 24.35 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 163.5 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . 5.5 p -62.77 -26.91 68.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -67.45 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -30.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.74 -34.58 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -63.69 -22.28 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.92 -12.39 8.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -69.74 152.14 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.33 -174.69 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 t -84.68 144.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.39 15.25 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -114.47 150.52 34.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 58.2 tttt -124.37 104.09 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 4.7 mt -71.96 116.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -98.39 -31.8 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 22.7 tt0 -148.39 154.39 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 21.7 t -147.4 152.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.0 30.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 87.18 -40.62 3.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.02 122.24 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 134.92 46.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.408 HD13 ' CG2' ' A' ' 63' ' ' VAL . 11.4 mt -115.08 38.52 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.31 -30.18 48.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -140.64 45.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 m -118.51 148.02 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.8 t -67.35 165.15 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.8 tpp -66.63 -61.32 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -38.11 -69.94 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 m -39.95 -57.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.68 36.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 81' ' ' THR . 93.4 t -69.99 -58.43 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -36.2 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -41.13 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CD2' HG13 ' A' ' 63' ' ' VAL . 6.2 mt -66.64 -10.5 46.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 65.3 p -102.37 5.21 39.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.0 m -129.7 82.56 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 162.48 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -80.64 4.44 18.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -159.58 94.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.7 mp -83.82 118.07 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -101.89 87.74 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.504 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 10.0 mtm -90.41 136.12 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -114.23 116.49 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.0 m -105.22 156.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.63 107.47 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.6 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.414 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.1 mm -97.33 148.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 7.7 m170 -110.49 128.84 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 130.21 47.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.29 148.39 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -130.72 106.96 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.65 152.55 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 80' ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -10.26 57.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CD2' ' CD2' ' A' ' 54' ' ' LEU . 17.2 p90 -124.7 148.33 48.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.09 130.0 37.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.28 159.39 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.09 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.6 mm -111.01 140.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 15.7 m-85 -132.93 144.64 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG2' HD12 ' A' ' 60' ' ' ILE . 6.3 t -85.06 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -51.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -129.79 160.81 32.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -144.58 100.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.19 129.92 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.46 161.45 30.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 24.52 5.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 -178.17 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ALA . 61.3 p -76.34 -34.08 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.34 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -29.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -86.28 -36.12 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.77 -22.51 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.59 -11.27 10.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 15.0 tp -73.04 125.26 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.85 -169.98 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 18.1 t -87.6 149.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.06 46.03 5.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -136.15 154.78 50.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 43.6 tttt -127.66 101.64 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.7 mt -69.17 114.73 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -95.81 -33.38 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 88' ' ' MET . 24.2 tt0 -142.85 152.73 42.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.516 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 21.5 t -145.11 144.06 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.7 35.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.85 -41.36 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' VAL . 3.3 mt -61.63 131.29 49.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.07 145.73 28.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -127.13 36.87 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.5 -19.15 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -153.07 33.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.6 m -101.26 148.6 24.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 p -70.05 141.32 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 tpp -47.15 -58.82 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -70.21 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 m -39.35 -61.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.43 -46.66 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 81' ' ' THR . 88.2 t -64.6 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -26.26 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.2 t -96.14 -42.66 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 3.3 mt -66.84 -10.45 48.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 8.1 t -105.72 5.19 30.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 t -129.44 -147.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 14.4 m 52.97 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.9 m -117.03 -5.33 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 96.55 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -82.97 108.92 16.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -98.25 86.97 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.516 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 19.0 mtm -89.4 134.21 34.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.52 117.36 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.41 155.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -111.56 117.66 33.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.1 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 3.6 mm -75.37 140.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -101.28 158.29 16.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -115.33 138.06 51.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.95 148.2 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' CD ' ' CE1' ' A' ' 87' ' ' HIS . 7.0 mtm180 -128.43 111.04 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.59 138.59 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.629 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.0 3.54 60.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 3.7 p90 -136.63 -178.12 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 128.75 40.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.87 148.01 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -121.14 175.0 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.7 mm -86.68 143.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 95.5 m-85 -127.07 138.32 53.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG2' HD13 ' A' ' 60' ' ' ILE . 11.9 t -81.56 126.42 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -54.48 3.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.1 169.11 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.5 t -144.92 108.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.79 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.36 164.61 24.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.02 26.49 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.13 -178.35 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 2.4 m -77.41 -22.34 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -72.24 -69.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -31.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.79 -36.01 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . -64.58 -20.58 66.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.64 -8.91 14.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 HD22 ' CG ' ' A' ' 26' ' ' PHE . 15.6 tp -70.92 129.43 39.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.34 -172.57 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 t -84.22 146.77 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.44 -26.09 15.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -51.15 149.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 12.5 tttt -128.23 101.03 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.447 HD13 ' CG2' ' A' ' 40' ' ' VAL . 5.7 mt -67.48 111.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 91' ' ' ARG . 33.6 p -90.47 -23.06 21.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.2 tt0 -159.78 157.72 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.5 p -157.09 142.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.31 23.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.72 -38.24 3.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 124.8 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 t -78.36 140.66 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.541 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 8.4 mt -110.61 19.79 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.25 4.2 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -174.98 47.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -136.7 152.93 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 71' ' ' THR . 8.4 t -69.11 141.57 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -48.99 -51.44 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.53 -69.65 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -40.26 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.76 -42.41 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' GLY . 96.4 t -70.33 -57.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.21 -31.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.41 -45.22 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.2 mt -61.32 -16.76 49.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 t -109.7 5.57 22.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.0 t -129.34 84.17 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 158.78 160.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -111.87 0.08 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.88 91.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.11 146.18 28.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.575 ' CE1' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -127.63 89.37 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.85 151.53 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.479 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -125.23 111.97 15.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.86 154.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.488 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.1 OUTLIER -110.16 156.05 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.92 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 10.2 m170 -110.83 154.73 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -119.0 135.56 54.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -145.88 149.47 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.34 105.09 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.456 HG21 ' CE ' ' A' ' 88' ' ' MET . 82.0 t -93.43 121.47 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.39 -8.96 40.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CB ' HD23 ' A' ' 54' ' ' LEU . 9.7 p90 -128.29 157.2 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.47 131.58 55.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 m -110.61 148.44 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.238 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -127.12 169.25 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mm -119.29 141.51 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 75.1 m-85 -122.97 139.73 53.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 60' ' ' ILE . 8.0 t -78.71 123.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -55.22 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -137.9 167.84 20.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -145.58 109.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 131.44 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.42 160.29 31.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.95 30.8 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -101.0 179.63 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -74.29 -34.01 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -62.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -30.58 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -34.09 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.83 -20.98 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.3 -13.35 9.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 26' ' ' PHE . 13.7 tp -65.96 131.0 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.46 -177.21 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 10.7 t -87.01 147.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.14 -28.7 10.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -55.93 154.5 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 19.6 tttt -129.14 108.56 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 40' ' ' VAL . 6.6 mt -70.18 119.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.1 p -101.16 -21.87 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 25.2 tt0 -164.55 157.43 17.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.469 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 2.1 p -158.97 139.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.59 19.52 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.46 -40.73 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 120.66 11.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 135.08 38.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 5.3 mt -111.82 46.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.68 -6.13 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 p -151.41 27.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.9 164.31 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -91.23 159.57 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -56.48 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.43 -69.76 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -40.08 -60.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.12 -48.18 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' THR . 74.9 t -60.76 -43.27 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 81' ' ' THR . 4.0 mttt -51.46 -22.03 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.462 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 43.9 t -97.02 -25.58 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 16.1 mt -86.26 -12.44 49.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.1 p -49.46 -52.68 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t 166.94 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -141.25 22.67 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER 86.61 -43.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.961 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -162.16 101.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 79' ' ' VAL . 16.1 mt -83.89 135.81 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.13 89.93 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.456 ' CE ' HG21 ' A' ' 16' ' ' VAL . 10.6 mtm -90.86 144.72 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.487 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 41.5 mmm -124.84 116.06 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 35.6 m -102.41 156.03 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' CG ' HD13 ' A' ' 11' ' ' ILE . 8.1 mtt180 -110.66 106.97 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.406 ' CG2' ' HE3' ' A' ' 89' ' ' MET . 3.0 mm -101.34 145.86 10.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 9.5 m170 -108.1 128.64 54.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.475 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -97.83 129.59 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.7 p -146.4 148.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -127.42 102.67 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.09 126.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.34 -13.16 35.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CD2' HD21 ' A' ' 54' ' ' LEU . 10.7 p90 -124.39 156.01 37.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.69 129.45 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 38' ' ' ILE . 30.2 m -112.58 144.07 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.36 161.8 18.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CG2' HG13 ' A' ' 28' ' ' VAL . 24.2 mm -110.11 111.53 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 16.4 m-85 -105.26 139.66 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.51 139.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -118.96 -37.2 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.21 160.12 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 55' ' ' CYS . 79.6 t -140.82 111.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.98 135.29 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.03 156.7 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.88 25.69 7.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 169.53 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.797 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -67.01 -35.91 80.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -53.31 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -46.27 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -66.25 -39.42 89.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . . . -63.62 -25.46 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.62 -7.89 17.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 26' ' ' PHE . 29.2 tp -73.03 127.48 32.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . 33.1 m -148.66 157.52 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -61.44 152.05 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 -4.8 56.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.99 161.18 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 8.6 tttt -128.78 110.46 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -71.72 111.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -92.5 -19.17 22.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 63' ' ' VAL . 29.4 tt0 -160.38 158.18 29.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.532 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.9 p -156.74 134.89 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.82 21.86 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.56 -41.34 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 119.81 8.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.0 t -77.13 134.24 38.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 10.7 mt -114.48 36.81 3.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.66 4.27 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.49 40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.87 156.01 42.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.2 p -65.32 -172.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.0 ttm -91.73 -61.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -42.05 -64.8 1.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -38.87 -52.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.68 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' THR . 85.8 t -51.34 -44.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.29 -28.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' VAL . 71.0 t -96.44 -36.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 5.5 mt -67.72 -15.83 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.8 t -97.95 4.02 49.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -137.71 -148.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 82' ' ' SER . 75.5 m 59.3 120.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -61.15 -14.24 23.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -162.67 106.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 14.0 mt -83.83 143.12 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -123.35 88.94 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.599 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.453 ' HA ' ' HA ' ' A' ' 63' ' ' VAL . 22.0 mtm -89.82 146.95 24.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.2 mmt -130.63 112.67 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 34.8 m -102.43 157.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -112.1 120.73 42.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -109.33 119.17 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -99.05 147.88 24.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.89 167.43 25.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.73 132.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 0.812 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m 60.79 160.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.63 -166.98 4.41 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -168.4 162.83 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.91 134.38 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.6 mt -134.99 157.53 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.49 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.82 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 9.0 m170 -104.62 141.6 36.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.15 129.52 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.32 149.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -130.68 105.13 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.6 t -96.55 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.31 164.8 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 171.29 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.31 160.27 62.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.06 145.52 32.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.47 136.01 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -38.81 156.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.05 157.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.39 -19.45 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 13.3 p90 -122.45 154.9 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 125.89 51.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.9 m -107.88 153.82 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -128.74 150.94 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.22 174.02 48.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.6 -135.69 2.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.2 t -94.76 105.77 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -174.8 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.48 -50.36 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.96 65.19 0.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD11 ' CD1' ' A' ' 39' ' ' PHE . 1.2 pp -128.12 -45.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.48 -132.61 9.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.4 mm -123.59 121.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 15.7 m-85 -120.25 142.23 49.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.0 t -79.46 141.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -51.57 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.13 163.85 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.02 108.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -39.04 152.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.81 147.66 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.55 34.72 5.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.31 178.4 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -29.3 61.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.66 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -33.77 44.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.93 -35.57 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.87 -22.77 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -6.72 18.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.522 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 21.8 tp -73.76 129.89 38.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.82 -178.65 5.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 9.5 t -81.15 139.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.8 40.36 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -145.14 155.49 43.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 2.2 tttt -128.45 120.32 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.37 114.62 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.1 p -92.69 -31.15 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -152.61 155.88 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.57 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.2 p -156.19 144.1 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 47.49 24.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.83 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 124.01 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.66 131.87 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.57 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 11.3 mt -115.65 43.14 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -90.6 -13.87 33.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.29 42.51 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.05 160.14 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 t -80.13 157.48 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.1 tpp -59.25 -56.65 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.59 -69.95 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -40.44 -52.9 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.54 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 69.9 t -49.03 -55.5 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.8 tttt -44.43 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 38.3 t -52.23 -40.06 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 9.2 mt -60.76 -30.24 69.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -106.06 5.86 30.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -119.3 84.47 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.038 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.8 t 160.41 156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -104.59 -5.03 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.23 90.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -84.46 143.67 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.561 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.414 ' HE2' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.49 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 27.8 mmm -127.32 120.33 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.98 159.94 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -112.46 114.86 27.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.69 144.2 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 -10.16 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.11 -173.51 14.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.12 167.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.64 96.3 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -133.74 157.98 44.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.83 156.56 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -43.38 140.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.8 172.66 7.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.75 -112.05 3.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -128.59 98.26 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -166.61 156.37 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.85 125.81 8.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.81 161.7 27.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.72 108.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -67.22 158.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -95.04 150.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' N ' HG22 ' A' ' 11' ' ' ILE . 11.3 m170 -113.39 137.62 51.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.89 128.71 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.75 149.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.36 102.92 6.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.467 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 68.3 t -95.55 130.26 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -94.17 147.18 23.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -79.01 160.32 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p -151.25 147.78 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.76 5.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 -61.69 0.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.77 -66.82 0.46 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -83.95 121.34 27.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 157.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.16 -16.22 18.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.428 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 12.2 p90 -123.69 155.79 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 131.88 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 HG12 ' CG2' ' A' ' 38' ' ' ILE . 15.9 m -108.69 155.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -126.86 157.46 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.59 -91.87 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.09 -178.8 39.12 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.83 174.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.31 158.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 57.95 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.21 73.59 0.71 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD11 ' N ' ' A' ' 37' ' ' GLY . 4.4 pp -112.71 -45.72 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.408 ' N ' HD11 ' A' ' 36' ' ' LEU . . . 111.9 -135.41 12.75 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 ' CG2' HG12 ' A' ' 28' ' ' VAL . 20.2 mm -123.79 129.74 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m-85 -127.43 141.28 51.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 t -79.5 142.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.7 -49.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.1 tmtt? -133.14 166.1 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.33 111.76 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.42 144.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.8 145.47 50.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.87 40.57 5.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.08 162.46 13.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' ALA . 19.1 p -57.72 -32.58 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -61.01 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -36.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.04 -35.45 31.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -64.5 -21.61 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.69 -7.61 19.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.428 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -70.93 128.16 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.35 -173.8 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -87.4 138.87 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.2 34.38 5.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 11.4 tttt -126.57 111.03 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.54 111.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -90.0 -24.61 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -157.56 155.5 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.464 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.6 p -157.93 140.62 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.82 18.66 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.73 -35.91 3.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 123.88 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.32 132.59 38.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 10.0 mt -113.22 31.71 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -76.77 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -151.95 30.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -105.85 160.0 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.0 p -78.9 -165.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.7 ttm -98.31 -51.73 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.24 -61.26 4.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -56.32 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.64 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' THR . 40.8 t -48.51 -57.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -42.36 -69.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.44 -38.67 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -62.62 -26.79 68.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.4 t -110.04 5.88 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . 3.8 m -123.32 77.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t 176.23 154.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -12.49 19.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -156.06 91.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.87 144.87 28.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -126.58 89.72 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.467 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 30.9 mtm -91.28 142.03 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.487 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 30.6 mmm -128.91 120.71 26.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.4 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 28.8 m -103.05 166.35 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.1 101.65 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -107.38 144.35 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.7 mmm -66.42 162.9 19.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.4 -91.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.5 t -64.24 -61.06 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.79 109.36 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.61 9.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.54 98.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.4 p -73.91 151.43 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.9 103.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.75 -60.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.04 119.94 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -114.73 73.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -129.9 -54.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 119.84 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 p -137.38 150.81 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 4.3 m-20 -58.93 112.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -68.43 157.97 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.2 mm -95.79 140.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 16.0 m-70 -112.31 146.89 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.38 133.71 51.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 15' ' ' ARG . 2.6 p -144.91 150.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 10.9 mtm180 -131.42 102.4 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -98.8 138.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.52 153.31 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.46 154.75 34.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -147.28 150.85 39.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 60.61 5.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.39 -56.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.67 -82.34 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 141.77 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' HG ' ' CE1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -45.77 156.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -11.99 35.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.47 ' CB ' HD21 ' A' ' 54' ' ' LEU . 5.2 p90 -127.36 159.42 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 124.34 50.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.77 147.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -114.18 161.92 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.81 138.77 0.79 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.35 69.54 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p 176.49 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.22 -70.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -56.58 15.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.13 67.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.49 179.23 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.44 -157.65 22.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.2 mm -79.61 154.55 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.244 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 19.5 m-85 -136.25 150.38 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.28 131.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -107.48 -52.65 2.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 167.52 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.53 109.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.69 128.75 21.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.24 163.5 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.5 27.58 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.23 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.9 p -77.75 -25.01 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -68.51 -68.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.02 -27.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -88.45 -35.7 16.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -64.11 -21.64 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.47 -10.17 11.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD21 ' CB ' ' A' ' 26' ' ' PHE . 13.4 tp -71.95 129.91 39.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.46 -172.42 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 108.285 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -82.65 142.12 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.64 37.06 7.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -120.83 153.97 36.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 8.9 tttt -128.81 107.66 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.9 mt -73.1 116.31 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.1 p -100.54 -31.28 11.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -143.78 153.52 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.486 ' CG2' ' CG2' ' A' ' 60' ' ' ILE . 94.8 t -151.72 123.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.23 19.27 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 -34.82 5.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.93 130.69 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.66 131.66 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.16 45.14 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.21 1.2 37.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 p -179.09 67.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -141.43 153.6 45.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.8 t -59.9 139.93 57.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.5 tpp -53.42 -57.36 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.09 -65.32 0.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -39.85 -63.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 110.029 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.88 -49.8 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 79' ' ' VAL . 75.0 t -61.72 -56.78 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -39.93 -29.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -90.2 -45.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' VAL . 4.5 mt -58.58 -16.46 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.8 t -107.94 5.53 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 1.2 t -129.69 85.67 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.7 t 159.62 138.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t -89.64 -2.61 58.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -162.69 88.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.4 mt -84.47 145.02 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.62 89.61 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.486 ' CG ' HG21 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -100.63 148.86 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.402 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -129.39 119.54 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.6 m -102.44 153.54 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 9' ' ' ASP . 69.5 mtt-85 -111.53 111.48 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.17 131.57 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 mmm -71.33 173.91 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.03 110.36 0.5 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.31 169.47 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.48 156.37 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.67 22.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -128.92 -58.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.6 t 59.62 114.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -161.69 142.13 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 73.57 -58.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.6 105.94 0.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -141.87 160.34 40.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.76 157.2 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.34 164.29 36.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m 61.94 169.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.79 155.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.77 156.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.8 mm -92.64 152.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 13.5 m-70 -118.36 136.26 53.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.632 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.471 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -99.72 128.98 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG22 ' CB ' ' A' ' 52' ' ' ALA . 2.8 p -145.9 150.54 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.538 HH21 ' NE ' ' A' ' 85' ' ' ARG . 23.1 mtp180 -133.79 105.76 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.56 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 70.7 t -98.93 124.68 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.3 151.68 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.52 131.96 35.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m -120.59 136.97 25.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.92 -60.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.01 132.66 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 61.57 145.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.256 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.503 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -51.06 157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.89 45.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.3 p90 -128.66 155.29 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.69 126.14 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.68 149.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -117.29 156.85 27.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.0 -154.96 17.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.81 -67.96 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 t -97.24 -75.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -47.63 112.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 60.55 107.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.16 -89.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.4 mt 50.9 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.87 -160.81 31.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.8 mm -95.43 128.29 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 44.7 m-85 -119.89 141.64 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 HG23 ' CD1' ' A' ' 60' ' ' ILE . 18.2 t -80.79 146.53 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -47.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 38.8 tptt -139.4 156.88 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 43.0 t -138.06 107.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.35 145.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.21 147.88 36.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 28.0 10.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.91 179.61 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.4 m -75.88 -30.86 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.08 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -27.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -87.1 -36.43 18.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -63.87 -22.78 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.31 -3.24 18.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.7 tp -73.61 132.17 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.01 -178.9 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.7 t -88.08 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.52 -4.92 62.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.08 159.19 34.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.557 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 35.2 tttt -128.35 103.27 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.446 ' CD1' HG23 ' A' ' 40' ' ' VAL . 5.1 mt -72.85 120.2 21.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.0 p -103.56 -17.76 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.3 tt0 -160.68 158.77 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' CD2' ' A' ' 80' ' ' LEU . 1.5 p -157.73 136.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.17 21.7 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.59 -43.49 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 122.41 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.87 135.07 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 13.4 mt -107.77 37.62 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.06 -0.9 57.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.69 34.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.25 155.11 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -67.99 -164.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.8 ttm -94.77 -51.68 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.96 -64.74 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -38.43 -61.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.044 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.08 -47.66 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' LEU . 65.8 t -66.31 -60.78 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -35.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.65 -45.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 63' ' ' VAL . 1.6 mt -59.93 -31.09 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -87.19 5.27 38.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' SER . 8.2 t -134.06 90.92 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER 159.28 142.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -97.25 33.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.538 ' NE ' HH21 ' A' ' 15' ' ' ARG . 6.1 mtp180 169.4 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.1 mp -93.51 131.24 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.463 ' NE2' ' SD ' ' A' ' 89' ' ' MET . 3.4 t-80 -119.34 89.77 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.56 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 6.2 mtm -89.99 147.61 23.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.4 mmt -131.46 115.28 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.6 m -102.76 158.09 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.23 100.97 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -102.58 139.76 37.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 ptp -86.23 172.14 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.41 -90.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.5 168.09 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.9 76.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.22 -60.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 92.6 p 47.69 84.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -110.4 148.09 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m 62.72 135.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.57 -125.15 3.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m 63.52 147.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -78.01 147.39 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.32 -148.13 21.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 63.03 82.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.6 95.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp -67.81 159.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -97.88 141.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.43 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 12.4 m-70 -99.98 140.75 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.6 127.46 53.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 p -145.74 147.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 4.7 mtm180 -130.02 103.4 6.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.23 118.9 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.11 164.34 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -82.18 153.19 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 m -153.53 135.16 8.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.81 -58.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.77 -64.43 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.38 131.08 46.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -41.03 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.43 -15.29 23.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 11.7 p90 -124.61 158.58 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 128.69 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.0 m -107.85 156.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -126.6 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.49 -149.46 28.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.05 -154.44 24.94 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.84 179.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 60.38 170.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 33' ' ' GLU . 21.3 m-70 70.2 -61.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . . . 110.76 58.72 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -141.29 167.76 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.37 -168.94 40.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.2 mm -89.75 128.61 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -119.97 161.08 21.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 t -93.44 147.93 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -48.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 21.4 tptm -140.25 153.3 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 42.9 t -134.83 105.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 125.65 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.07 159.08 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.95 36.64 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 p -108.73 -178.02 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 4.7 m -71.15 -36.13 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.2 -72.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -32.99 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -77.67 -39.64 44.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -64.18 -23.53 67.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.88 -2.28 17.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.0 tp -70.79 128.37 35.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.2 p -119.7 179.99 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.06 138.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.13 14.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -103.5 164.8 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -130.0 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' A' ' 63' ' ' VAL . 8.6 mt -75.73 118.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -100.93 -23.56 14.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 20.0 tt0 -157.72 156.86 32.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' A' ' 60' ' ' ILE . 82.5 t -153.53 126.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.48 24.95 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.25 -47.28 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 124.82 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -83.39 122.95 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.2 mt -102.71 43.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.28 -12.59 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -167.72 55.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.06 151.61 49.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.436 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 t -67.47 136.5 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.4 tpp -44.22 -49.37 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.07 -70.21 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.7 m -40.11 -60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.75 -45.27 14.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' THR . 99.1 t -65.84 -57.44 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -44.0 -39.88 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.3 t -79.89 -45.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.15 -19.33 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 77' ' ' VAL . 12.0 t -109.3 5.29 23.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -130.08 81.79 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.02 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.425 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . 34.3 m -94.8 7.02 47.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -166.73 97.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.557 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.3 mp -88.15 123.64 33.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -110.41 87.98 2.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.481 ' CB ' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.17 142.89 28.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.481 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 31.7 mmm -133.45 122.27 23.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.43 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.5 m -101.71 159.06 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -107.88 101.91 11.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.34 145.29 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.37 177.31 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.99 -152.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.429 1.08 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 129.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.55 157.16 19.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.113 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.8 21.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 m -48.74 141.53 7.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 m 60.87 167.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 p -81.6 170.23 16.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -138.47 -57.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.43 -158.95 13.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.32 -57.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.76 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -172.31 168.96 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 169.5 18.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.71 71.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -178.77 90.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.85 155.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.85 144.14 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 11.8 m-70 -109.36 134.1 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.476 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.5 OUTLIER -98.72 126.98 44.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 p -145.17 147.89 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -131.65 103.82 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG22 ' CE ' ' A' ' 88' ' ' MET . 25.0 t -92.03 139.84 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 167.67 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -72.44 120.56 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -89.93 153.36 47.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.8 104.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.17 42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.88 165.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' HG ' ' CZ ' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -62.78 153.59 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.57 -14.22 34.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CZ ' ' HG ' ' A' ' 24' ' ' LEU . 11.4 p90 -123.21 155.32 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.74 126.9 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -108.72 157.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -124.44 163.75 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.54 -154.89 17.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.87 -89.5 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.5 m -125.85 -54.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -46.67 158.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 70.15 -60.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' GLU . . . 95.91 96.69 1.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.06 156.5 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.02 -158.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.3 mm -95.6 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 13.3 m-85 -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.44 147.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.31 -50.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.77 157.34 47.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.96 102.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.56 128.5 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.26 165.81 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.56 34.02 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -104.18 -178.08 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.039 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.6 p -75.74 -35.27 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.18 -64.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -36.07 58.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' CB ' HG21 ' A' ' 16' ' ' VAL . . . -63.37 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.86 -13.79 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.9 tp -67.67 128.52 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -174.07 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -89.85 140.75 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.27 23.7 8.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.02 159.65 35.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.6 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.28 124.53 32.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.23 111.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.445 HG22 ' CD ' ' A' ' 59' ' ' LYS . 43.8 p -94.13 -19.23 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -156.94 153.64 28.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.546 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.9 p -160.65 134.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 65.13 11.82 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.9 -31.93 7.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.14 136.75 42.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.07 141.95 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.546 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 12.8 mt -118.21 36.68 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -86.68 -10.29 54.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 p -151.69 38.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.64 152.87 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 t -64.78 -171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttm -90.52 -61.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.02 -66.23 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 t -39.79 -54.12 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.4 61.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' LEU . 92.6 t -56.27 -52.79 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.0 -43.37 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 62.1 t -70.91 -38.59 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' CD2' HG22 ' A' ' 63' ' ' VAL . 67.7 mt -69.03 -17.92 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.7 p -100.6 4.86 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -137.04 92.34 2.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.57 131.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -88.03 6.22 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.2 91.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 80' ' ' LEU . 16.9 mt -87.08 142.52 27.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -123.15 89.73 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.468 ' CE ' HG22 ' A' ' 16' ' ' VAL . 17.0 mtm -90.6 147.61 23.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 0.9 OUTLIER -130.13 115.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.2 m -102.43 158.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -117.21 103.66 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -116.55 139.29 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 ptp -106.51 171.33 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.22 72.56 2.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.32 169.05 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.05 -168.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -172.84 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.2 m -123.37 162.67 22.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -66.0 168.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -164.55 156.07 15.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.82 -179.21 27.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -110.83 -57.88 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.45 146.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 166.61 14.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.2 p -95.34 -54.03 3.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.67 137.0 20.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.6 mt -133.24 159.4 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.0 mm -87.28 148.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 12.6 m170 -105.1 142.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.6 125.92 53.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 15' ' ' ARG . 5.7 p -145.28 146.04 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' N ' HG21 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -124.43 103.59 8.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.7 t -99.13 157.45 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -117.34 154.38 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.4 172.05 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.99 132.47 11.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.8 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.35 -60.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.61 53.33 0.17 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.15 97.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.1 mm? -44.82 154.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -12.11 40.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.9 p90 -124.82 155.1 39.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 129.41 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.1 154.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -122.88 153.35 39.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.36 -147.5 17.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.12 64.66 3.17 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.15 87.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.012 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 74.71 -63.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -46.32 -65.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' LEU . . . 121.58 -85.04 0.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.9 pp 42.8 -167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -95.29 -134.21 7.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.3 mm -131.37 116.97 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.561 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 32.6 m-85 -112.22 137.59 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t -74.84 147.19 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.43 -49.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.3 tptt -139.86 153.57 47.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 50' ' ' GLU . 63.5 t -133.31 106.87 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 140.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' SER . 5.5 mm-40 -78.48 170.25 16.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.81 30.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.5 p -104.33 177.78 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.6 t -76.16 -29.88 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.57 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' HG3' ' CG1' ' A' ' 43' ' ' VAL . 2.0 mt-10 -43.86 -33.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -35.46 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.94 -19.68 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -11.23 16.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.37 130.61 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.92 179.01 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.269 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 76.7 t -72.19 142.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.1 39.75 4.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -139.18 152.6 47.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.561 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 49.8 tttt -129.17 104.99 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.9 mt -66.92 113.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.4 p -91.98 -31.71 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -153.65 155.36 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.4 p -156.52 142.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.07 21.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.24 3.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 124.85 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.29 127.2 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 4.8 mt -109.67 48.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.09 11.38 30.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m 170.44 48.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.64 162.01 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 p -77.85 141.64 39.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 16.2 ttm -46.47 -60.86 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.84 -66.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 m -39.37 -63.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.01 -53.85 9.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' THR . 97.7 t -55.49 -50.19 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -30.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -44.02 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CD2' HG23 ' A' ' 63' ' ' VAL . 32.3 mt -61.84 -13.73 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' VAL . 7.8 t -108.89 -8.08 15.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.2 t -122.27 89.42 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.4 m 159.45 129.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -91.12 22.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -85.04 140.69 30.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.57 89.69 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 17.7 mtm -91.33 143.15 26.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 42.3 mmm -128.43 117.31 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 35.9 m -102.72 157.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -109.81 119.13 38.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 146.7 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.8 ptm -110.34 -9.81 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.96 98.03 2.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.108 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.02 146.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.15 119.23 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.14 41.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -153.09 139.16 18.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -128.78 123.17 32.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -107.51 147.43 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.92 -83.21 1.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.79 -57.42 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p 178.25 -63.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.05 83.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -63.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.1 99.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt -128.62 161.46 37.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.8 mm -92.46 151.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.411 ' N ' HG22 ' A' ' 11' ' ' ILE . 11.8 m170 -108.51 137.67 46.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.58 129.1 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG22 ' CB ' ' A' ' 52' ' ' ALA . 3.5 p -145.61 149.32 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.0 104.88 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -96.66 117.58 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -81.69 156.03 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -72.19 121.99 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -105.93 155.69 37.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.51 5.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.54 169.82 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.72 -56.43 2.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -91.73 146.85 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -52.0 156.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.85 -15.71 21.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.529 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 8.9 p90 -126.05 154.55 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.06 132.84 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.33 155.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.27 157.15 42.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.9 -141.14 17.58 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.03 97.54 2.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t 45.23 85.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -133.18 -48.9 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.71 21.77 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.43 45.86 5.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -122.27 178.54 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.51 -150.06 24.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.7 mm -98.58 137.02 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 25.6 m-85 -122.03 158.38 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -93.7 147.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.57 -49.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.5 tptt -137.71 155.46 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 40.1 t -138.61 103.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.52 123.84 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.21 162.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.26 28.11 3.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 p -105.46 -178.64 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -72.79 -34.29 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.61 -70.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -30.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -80.82 -39.9 25.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -64.33 -22.04 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.74 -10.93 12.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.529 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 14.4 tp -68.52 126.14 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.89 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 6.6 t -89.01 142.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.35 42.72 4.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -126.13 159.24 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.3 tttt -130.23 97.62 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.4 mt -69.71 114.34 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.5 p -94.23 -33.05 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 18.8 tt0 -146.49 154.64 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.535 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 17.3 t -143.11 145.39 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.6 OUTLIER 38.32 32.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 89.26 -43.9 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.0 120.63 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.9 t -74.01 131.01 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 mt -108.69 31.5 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 2.4 mt-10 -86.21 100.51 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER 84.8 26.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -102.67 148.06 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.8 t -63.6 165.37 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.7 tpp -74.54 -54.79 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -69.91 0.44 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -41.04 -54.67 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.89 19.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' THR . 73.7 t -45.48 -51.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -45.88 -71.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.76 -39.16 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 10.0 mt -61.88 -26.25 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 77' ' ' VAL . 12.3 t -110.79 6.21 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 7.2 t -126.71 94.69 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 159.8 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.29 -5.2 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -156.06 87.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' N ' HD13 ' A' ' 86' ' ' LEU . 5.3 mp -83.75 127.13 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 88.05 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.633 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.535 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 32.8 mtm -90.49 134.37 34.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.459 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 23.5 mmm -122.4 119.6 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.54 157.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -111.75 108.63 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -105.76 139.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.07 131.55 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.05 168.62 6.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.3 t -169.53 147.7 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.61 -87.04 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.13 42.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 177.26 118.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -131.31 145.19 51.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -106.19 152.51 23.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.37 -58.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 -162.45 14.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -144.69 -57.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.01 156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 94.93 0.16 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.99 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.18 118.29 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt -132.54 160.71 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.443 ' CG2' ' HE2' ' A' ' 89' ' ' MET . 3.0 mm -95.2 142.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.462 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 8.2 m170 -101.21 126.32 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.467 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.6 128.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.59 150.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -134.91 109.44 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.59 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 96.3 t -99.41 144.09 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.07 167.71 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 125.74 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 p -86.22 145.63 40.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -43.45 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.84 -59.79 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 -84.27 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.31 136.8 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 1.2 mm? -47.55 152.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.22 -10.46 41.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 8.7 p90 -125.06 154.93 40.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.79 118.21 35.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG13 ' CD2' ' A' ' 26' ' ' PHE . 33.6 m -108.05 143.71 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -114.26 157.56 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.06 -168.55 13.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.05 -118.61 0.53 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -138.0 85.89 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -165.25 146.09 7.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.37 -60.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.54 61.39 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 pp -129.2 141.17 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 0.728 . . . . 0.0 109.306 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.48 -137.99 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 mm -114.42 130.59 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 6.5 m-85 -119.29 139.9 51.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.73 140.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.95 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -134.12 159.01 42.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.82 110.14 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 131.65 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.65 164.84 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 40.76 29.86 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.85 -178.76 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.9 m -74.63 -34.87 62.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.3 -65.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -86.79 -35.44 19.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.39 -21.86 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.41 -7.22 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 26' ' ' PHE . 15.1 tp -72.53 129.27 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -171.96 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.1 t -84.99 143.68 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.46 7.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -124.65 146.57 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 33.4 tttt -122.17 108.68 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.63 119.86 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.5 p -102.0 -18.63 15.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 28.5 tt0 -159.27 158.18 32.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 1.5 p -156.09 137.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.15 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.11 -43.59 2.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 124.54 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.74 140.62 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 9.3 mt -113.75 32.79 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.43 8.24 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 t -178.69 46.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.45 155.91 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -78.22 148.35 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.8 tpp -46.89 -54.82 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.29 -69.64 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.24 -58.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.22 -44.5 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 74' ' ' GLY . 77.9 t -68.29 -51.62 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.28 -27.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.406 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -91.96 -46.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 63.7 mt -62.22 -13.4 27.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -109.31 5.32 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 31.1 t -139.67 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.5 m 159.88 129.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 m -81.32 -3.17 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -162.46 96.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 23.5 mt -84.47 146.53 27.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -126.03 89.03 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.59 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 19.2 mtm -91.07 146.72 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -130.23 116.04 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.78 156.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -110.83 110.34 20.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 120.75 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptm -116.19 -20.68 9.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.07 177.99 27.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 t 61.82 135.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.63 98.69 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.98 34.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.2 p -176.49 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.6 p -81.03 1.48 31.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -132.57 169.81 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -134.02 143.61 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.89 -149.4 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -49.81 165.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.54 -61.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.959 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.64 -165.91 15.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.41 114.68 19.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -170.71 121.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.7 mt -139.2 159.35 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -88.97 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 11.8 m170 -99.48 137.35 38.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.1 131.65 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 15' ' ' ARG . 2.9 p -145.59 148.15 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 69.6 mtt180 -129.33 111.44 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' CG2' ' HE3' ' A' ' 88' ' ' MET . 94.4 t -108.46 149.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.64 166.36 12.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.4 139.78 30.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.88 148.83 40.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 64.04 102.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.53 -80.8 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -178.4 144.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 ' HG ' ' CE1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -47.18 160.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.77 -8.1 45.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CG ' ' CD2' ' A' ' 54' ' ' LEU . 1.9 p90 -131.54 157.6 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.36 128.97 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.2 m -110.28 151.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 30' ' ' GLY . 23.8 ptt85 -101.52 152.69 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' NH1' ' A' ' 29' ' ' ARG . . . -61.94 138.19 46.18 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.3 45.0 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' HIS . 32.5 p -101.34 -173.59 2.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 66.45 -74.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 36' ' ' LEU . 72.0 m-70 -62.9 -79.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.4 56.77 0.07 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -125.27 -169.55 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.73 -105.67 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.19 147.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 59' ' ' LYS . 18.1 m-85 -138.03 150.43 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 60' ' ' ILE . 13.1 t -88.37 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.98 -42.81 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.43 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.5 tptm -139.29 154.23 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 HG11 ' CG ' ' A' ' 50' ' ' GLU . 42.3 t -137.3 103.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.63 130.11 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.32 164.23 24.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.58 31.05 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -73.69 -35.27 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.93 -66.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' CG ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -44.71 -31.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -85.29 -35.35 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.94 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.05 -10.94 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.552 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 12.9 tp -73.82 126.2 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -175.05 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.9 t -79.83 140.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 34.11 6.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -116.98 156.43 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 9.7 ttpt -129.54 97.76 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 40' ' ' VAL . 5.9 mt -72.14 114.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.4 p -97.96 -32.45 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 19.0 tt0 -146.84 154.72 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.506 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 23.1 t -144.79 147.06 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER 39.09 30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 89.64 -42.87 2.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -54.61 119.48 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -72.27 127.5 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mt -116.24 32.09 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 p -132.65 46.8 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -123.91 147.83 47.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -68.54 -172.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.9 ttm -85.47 -57.92 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.92 -67.18 0.78 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -49.86 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.56 80.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 81' ' ' THR . 79.3 t -67.97 -51.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -46.82 -31.69 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.32 -45.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD2' HD23 ' A' ' 86' ' ' LEU . 8.4 mt -61.55 -13.7 23.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' VAL . 13.8 t -109.59 5.34 22.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -131.2 83.2 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.31 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -92.79 25.64 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 179.8 93.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.5 mp -88.38 117.61 27.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 47.4 m170 -103.67 87.71 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.506 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 12.7 mtm -91.29 139.21 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 25.4 mmm -126.79 119.37 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 31.4 m -102.52 155.64 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -110.2 122.79 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.65 148.67 42.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.1 mtp -119.03 93.36 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.83 167.83 39.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -72.88 156.8 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.28 96.54 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -140.82 127.94 20.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -66.48 130.91 44.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -140.33 139.2 35.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -51.8 117.95 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 160.56 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t -170.56 145.08 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -105.43 149.04 26.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.11 -168.13 40.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 61.92 154.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt -134.53 158.03 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 HD13 ' CG ' ' A' ' 91' ' ' ARG . 3.3 mm -95.16 140.68 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 10.6 m-70 -108.76 129.94 55.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.467 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.66 128.35 41.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.63 148.63 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.4 ' HG3' ' NE2' ' A' ' 87' ' ' HIS . 9.1 mtt180 -128.72 107.31 9.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.465 ' CG2' ' HE1' ' A' ' 88' ' ' MET . 25.0 t -100.21 133.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.78 167.38 10.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -82.71 136.09 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -124.1 146.03 50.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 106.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.56 -60.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.88 -83.44 0.16 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 148.72 34.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -41.39 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.03 -8.9 45.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CD2' HD22 ' A' ' 54' ' ' LEU . 3.3 p90 -129.43 155.67 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -106.12 126.08 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG21 ' CE ' ' A' ' 73' ' ' MET . 17.3 m -108.43 146.82 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -112.06 156.17 22.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.58 -149.18 16.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.29 -59.98 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 p -39.56 129.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.69 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -146.29 -56.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.82 -55.43 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -44.69 141.51 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.67 -137.3 0.78 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -102.04 133.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 22.0 m-85 -128.99 141.01 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.13 149.19 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 1.1 p -125.5 -42.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -151.07 168.66 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 55' ' ' CYS . 58.4 t -143.58 109.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.54 137.33 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 152.29 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.54 42.69 10.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.3 p -108.49 173.06 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ALA . 62.8 m -69.34 -29.68 67.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.16 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -41.24 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.52 -39.67 58.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.09 -24.58 67.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.2 2.06 20.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.523 HD22 ' CD2' ' A' ' 26' ' ' PHE . 34.3 tp -82.35 127.72 33.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.76 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.471 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . 80.1 m -150.15 150.21 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.258 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -54.25 152.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.35 -3.53 47.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.11 160.86 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -128.87 111.2 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.84 113.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -96.93 -19.85 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -159.13 154.91 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.556 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 2.3 p -160.2 137.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' N ' HG21 ' A' ' 63' ' ' VAL . 0.8 OUTLIER 59.8 16.49 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.62 -25.52 20.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.62 134.06 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.48 142.21 31.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.556 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 7.2 mt -121.52 31.87 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.68 -15.16 58.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.25 50.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -132.4 158.91 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.1 t -76.08 169.05 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.42 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.468 ' CE ' HG21 ' A' ' 28' ' ' VAL . 4.1 ttm -71.8 -58.8 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -38.54 -69.55 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' GLY . 8.3 t -39.0 -60.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.33 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 80' ' ' LEU . 94.5 t -56.66 -57.16 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -38.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -77.37 -44.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 16.0 mt -58.56 -41.46 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 t -81.06 5.35 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 9.4 t -127.96 85.45 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 160.46 142.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 6.2 t -97.29 12.27 33.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 84' ' ' SER . 0.0 OUTLIER -171.52 89.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 9.1 mt -84.82 145.71 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -128.28 90.61 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.465 ' HE1' ' CG2' ' A' ' 16' ' ' VAL . 29.2 mtm -89.68 149.06 22.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.1 mmt -129.46 112.61 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.7 m -102.31 158.57 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.461 ' CG ' HD13 ' A' ' 11' ' ' ILE . 32.9 mtt180 -118.73 109.22 15.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -120.23 152.52 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.51 99.08 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.28 108.42 0.76 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.6 m 62.84 127.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.87 -144.93 16.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.2 16.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.73 -58.5 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 t -128.56 92.61 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -156.49 120.13 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 170.79 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.12 156.87 7.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.96 105.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -112.53 142.83 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.66 108.94 3.41 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.4 -60.49 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 92' ' ' ARG . 6.7 m-20 -105.49 83.4 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.0 mp -78.99 157.81 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.509 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -97.12 145.41 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 6.8 m170 -102.39 136.83 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.97 130.64 53.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.78 149.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 103.89 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.466 ' CG2' ' HE1' ' A' ' 88' ' ' MET . 38.6 t -96.66 156.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.96 159.37 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -76.0 154.11 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -131.75 138.25 32.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -75.03 176.99 9.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 20' ' ' PRO . . . 79.1 -60.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.65 72.64 0.22 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.89 86.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? -41.95 152.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.15 -12.17 36.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CB ' HD23 ' A' ' 54' ' ' LEU . 9.7 p90 -125.42 157.49 36.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.42 134.95 53.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG23 ' CE ' ' A' ' 73' ' ' MET . 13.5 m -114.18 153.18 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.08 158.23 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.34 -139.45 14.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.3 -124.89 2.31 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.46 109.05 10.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -169.01 -50.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -54.96 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.12 63.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 pp -145.22 143.12 30.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . -64.25 -142.21 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.6 mm -109.74 137.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 12.2 m-85 -130.43 142.38 50.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 t -79.16 147.03 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.96 -49.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.3 tptp -134.97 150.77 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 40.0 t -136.23 103.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.86 128.23 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' SER . 7.5 pt-20 -67.04 168.7 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.61 31.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.7 p -104.96 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 94.7 p -72.98 -31.55 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -31.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -35.46 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.06 -21.45 66.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.65 -8.94 14.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 26' ' ' PHE . 16.0 tp -78.02 127.39 32.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 m -139.01 -176.05 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.2 t -80.0 136.01 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.49 35.03 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -130.25 156.21 45.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.7 tttt -129.89 110.1 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.66 114.65 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 91' ' ' ARG . 40.6 p -91.15 -23.58 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.1 tt0 -165.63 157.95 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 80' ' ' LEU . 1.5 p -155.09 136.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.77 27.49 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -40.52 3.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 117.46 4.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.64 134.67 39.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.011 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 8.6 mt -112.86 27.08 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.84 1.54 34.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 t -129.99 162.59 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.11 143.33 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.443 ' CE ' HG23 ' A' ' 28' ' ' VAL . 15.6 ttm -46.21 -65.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -37.89 -64.9 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -38.44 -58.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.57 12.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' THR . 83.9 t -52.16 -49.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -41.15 -31.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.7 t -89.57 -40.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 30.5 mt -67.3 -9.85 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 77' ' ' VAL . 2.8 p -89.44 -22.17 22.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -115.79 -147.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 55.0 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -64.91 -10.1 26.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -150.65 95.22 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 23.3 mt -83.71 135.77 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.87 87.25 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 109.609 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.466 ' HE1' ' CG2' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -91.75 145.75 24.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.509 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 47.7 mmm -132.71 123.34 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.57 156.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 12.2 mmt180 -91.95 162.26 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 23.9 tpt180 -140.45 149.19 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.413 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 2.3 mmt -84.15 179.84 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.57 -109.19 2.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 m -119.22 149.0 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.65 178.08 29.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 61.73 5.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.9 167.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.77 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.51 167.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.783 . . . . 0.0 110.018 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.63 132.93 55.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.32 -62.31 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 m 44.53 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.33 161.91 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.7 162.81 24.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.5 p -98.12 -20.59 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -126.0 161.32 27.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.49 156.11 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.1 mm -98.89 131.14 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.408 ' HB2' HG23 ' A' ' 90' ' ' VAL . 7.0 m-70 -96.73 168.43 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.15 126.87 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.35 146.68 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -128.73 102.6 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.586 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 72.0 t -96.97 109.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.31 145.4 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -74.77 155.34 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p -162.23 134.59 4.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 75.47 3.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.16 -59.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.49 93.67 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.36 161.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' HG ' ' CZ ' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -40.95 153.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.64 -9.4 51.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CB ' HD21 ' A' ' 54' ' ' LEU . 9.6 p90 -125.82 152.37 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -106.68 124.08 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.427 ' CG2' ' HE2' ' A' ' 73' ' ' MET . 14.2 m -108.6 151.01 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.01 160.94 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.46 -152.07 17.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.96 95.79 1.88 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.19 160.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.019 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.28 61.99 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.08 -66.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.32 72.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 pp -164.21 148.25 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.756 . . . . 0.0 109.343 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.96 -149.26 3.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 mm -110.32 130.16 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 23.3 m-85 -121.17 139.4 53.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.96 143.0 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -120.21 -39.6 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 169.37 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 44' ' ' GLU . 69.1 t -146.77 125.1 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -47.6 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.45 136.15 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.65 45.45 1.45 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.0 p -109.0 -178.17 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 m -53.53 -46.42 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.14 -70.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -32.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -79.3 -39.26 33.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' HG23 ' A' ' 16' ' ' VAL . . . -64.01 -25.27 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.05 7.61 30.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 26' ' ' PHE . 22.9 tp -82.75 124.87 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.7 p -138.97 141.29 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.274 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -45.11 146.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.83 -11.21 27.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.53 163.73 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 11.5 tttt -130.34 115.3 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.8 mt -71.66 114.11 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.7 p -94.93 -21.76 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.0 tt0 -165.51 160.01 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.459 ' N ' ' CG ' ' A' ' 62' ' ' GLU . 1.5 p -156.54 140.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 48.14 24.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 93.61 -37.03 3.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 121.52 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 137.25 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 HD21 ' CB ' ' A' ' 76' ' ' ALA . 18.4 mt -108.09 17.4 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.15 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.8 m -114.62 51.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 152.03 44.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -75.42 162.75 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.427 ' HE2' ' CG2' ' A' ' 28' ' ' VAL . 1.7 ttm -56.4 -57.16 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.22 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.16 -54.85 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -52.29 -51.25 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' VAL . 66.3 t -59.25 -56.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.5 tttt -39.07 -30.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -89.83 -46.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . 17.3 mt -59.95 -15.79 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.402 HG21 ' O ' ' A' ' 77' ' ' VAL . 15.3 t -110.61 5.24 20.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 83' ' ' SER . 4.6 t -134.91 89.93 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.1 125.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -75.46 -6.42 50.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 93.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 16.1 mt -83.91 143.06 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -124.56 89.41 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.586 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 24.6 mtm -90.61 142.61 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.485 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 43.1 mmm -125.4 114.73 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 12' ' ' HIS . 27.8 m -102.76 155.52 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.422 ' CG ' HD11 ' A' ' 11' ' ' ILE . 48.6 mtt85 -106.21 105.19 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 143.58 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 ptm -72.97 166.56 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -39.85 141.18 0.75 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.01 168.57 18.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.16 91.37 0.94 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -140.15 135.65 32.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.58 -58.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -120.74 127.24 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.13 160.91 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.06 104.76 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -178.71 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.05 155.97 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.97 121.33 0.56 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -54.18 -54.08 44.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.44 150.75 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.73 156.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -92.1 145.25 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -111.97 150.42 30.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.649 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.9 133.83 54.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 15' ' ' ARG . 2.7 p -145.86 150.1 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.1 mtm180 -131.03 104.8 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG22 ' CE ' ' A' ' 88' ' ' MET . 42.2 t -99.99 118.45 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.51 164.26 23.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.45 125.47 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -86.92 162.0 45.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 68.97 5.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 174.51 177.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.42 66.24 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.17 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.63 152.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.628 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -70.59 162.74 28.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 6.45 59.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 20.2 p90 -138.0 158.81 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.72 129.27 55.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.3 m -108.53 154.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -125.37 167.12 15.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.69 -150.7 19.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.23 -90.86 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -145.88 76.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -61.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -93.38 -56.16 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.39 64.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mt -139.04 176.2 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . -82.75 -138.97 3.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.6 mm -107.98 137.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.78 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 59' ' ' LYS . 6.0 m-85 -133.48 143.13 48.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.51 147.78 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.31 -48.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 158.2 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.99 114.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.84 149.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 138.08 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.55 32.78 10.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 170.58 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.06 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.2 t -67.96 -28.01 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.15 -58.51 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -30.44 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -86.09 -36.54 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.86 -23.14 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.13 -14.26 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.07 142.12 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.725 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.5 174.59 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 108.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 138.48 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.72 -28.8 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -52.56 156.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.602 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.57 102.8 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -69.45 117.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.8 p -101.33 -19.51 15.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.43 153.94 9.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 2.3 p -155.38 128.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 63' ' ' VAL . 4.2 m120 84.44 -42.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.78 -38.13 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -71.89 128.8 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -75.22 129.51 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' O ' ' CA ' ' A' ' 37' ' ' GLY . 11.2 mt -105.48 42.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.79 -26.1 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -142.1 37.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 72' ' ' THR . 3.8 m -112.82 143.38 44.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 71' ' ' THR . 15.1 p -60.04 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.3 ttm -95.9 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.3 -67.76 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.43 -50.37 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.21 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 95.7 t -54.69 -47.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -52.7 -45.76 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -70.37 -27.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' CD2' HG21 ' A' ' 63' ' ' VAL . 8.4 mt -77.9 -13.62 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 p -106.37 5.58 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -125.78 69.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t 177.02 136.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 t -91.02 3.65 54.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.63 89.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.536 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.6 mp -84.46 134.94 34.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -123.96 90.44 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.475 ' CE ' HG22 ' A' ' 16' ' ' VAL . 30.2 mtm -89.83 141.36 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.473 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 32.4 mmm -123.88 116.8 23.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.2 m -102.8 158.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' CG ' HD13 ' A' ' 11' ' ' ILE . 1.9 mtp85 -112.9 111.81 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -108.11 138.27 44.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.59 159.18 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -43.87 -95.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 p -176.88 127.24 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.61 164.82 13.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 70.42 5.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.17 151.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.035 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.7 p -85.01 149.14 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 p -69.04 85.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.56 -68.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t 63.5 120.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 92.5 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.78 97.73 0.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.5 m -161.67 147.71 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.97 86.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -46.39 163.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.492 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 2.7 mm -92.94 142.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.411 ' N ' HG21 ' A' ' 11' ' ' ILE . 5.6 m-70 -100.55 150.71 22.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.47 52.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 p -145.54 149.15 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -134.73 105.22 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 43.0 t -93.04 145.67 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 167.99 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.96 168.94 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -176.17 130.02 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.93 -66.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.36 -58.88 0.35 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' LEU . 12.6 tpp180 -105.14 107.55 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.621 ' CD2' ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -41.99 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -22.41 2.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.621 ' CE2' ' CD2' ' A' ' 24' ' ' LEU . 30.1 p90 -120.74 159.97 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.85 140.27 50.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' A' ' 38' ' ' ILE . 27.8 m -114.53 156.67 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -141.0 166.59 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.55 -112.37 4.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.24 -103.98 1.21 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.6 p -148.64 85.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.57 -56.51 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -55.1 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.33 55.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -127.75 -178.91 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.57 -152.17 29.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 15.6 mm -90.64 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 49.6 m-85 -131.22 135.84 47.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.07 128.04 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.17 -54.56 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.84 168.55 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -143.49 106.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -38.39 123.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 148.93 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.45 51.01 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 44' ' ' GLU . 82.6 p -108.94 166.06 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -28.19 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.97 -62.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -29.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -88.34 -34.82 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.92 -21.38 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.05 -12.37 9.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.9 tp -68.9 146.42 52.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.98 -171.28 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.16 146.68 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.18 -24.93 24.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 152.39 16.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 22.2 tttt -129.92 109.69 11.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.78 116.01 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.2 p -98.06 -19.23 18.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 21.7 tt0 -164.34 155.48 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 1.3 p -150.52 139.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 1.6 t-20 48.34 24.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 94.46 -34.7 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.09 131.23 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -83.22 146.69 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 23.7 mt -116.98 18.82 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.88 -42.78 57.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 p -124.71 54.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.37 153.58 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 p -71.04 139.28 50.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.3 tpp -43.63 -62.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.28 -60.77 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -39.6 -66.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' SER . . . -39.99 -51.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 81' ' ' THR . 64.3 t -61.01 -54.24 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -30.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.19 -45.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' VAL . 14.7 mt -60.35 -33.32 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 29.9 p -62.93 -33.89 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -107.14 -141.89 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.445 ' OG ' ' ND2' ' A' ' 64' ' ' ASN . 41.7 t 58.38 111.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.461 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . 1.9 m -68.7 -8.13 39.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -156.58 95.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 7.6 mt -83.83 130.01 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CD2' ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -117.93 87.67 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.479 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 9.4 mtm -91.4 143.69 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.597 ' SD ' ' CD2' ' A' ' 87' ' ' HIS . 47.4 mmm -129.26 117.01 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.401 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 34.6 m -101.96 156.39 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.425 ' CG ' HD13 ' A' ' 11' ' ' ILE . 36.3 mtt180 -107.1 117.82 35.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -132.99 150.92 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.2 146.69 24.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.39 100.18 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.76 137.46 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -77.73 156.03 43.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.63 9.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -75.91 150.04 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 m -107.2 -61.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.77 153.37 40.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.55 111.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 -159.85 19.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -155.0 119.93 4.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.06 160.55 14.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.46 -110.3 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -135.87 -46.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.86 108.24 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -66.36 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -99.41 145.35 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 30.4 m-70 -115.11 137.85 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -105.01 136.33 44.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 15' ' ' ARG . 2.2 p -145.57 153.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 5.3 mtm180 -134.26 108.51 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.7 t -104.86 138.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.43 134.41 34.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 135.37 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 p -94.8 153.86 39.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -11.79 21.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.57 -58.64 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.08 58.5 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 178.38 141.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.634 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -68.12 163.02 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.73 60.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.8 p90 -135.79 154.38 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.31 137.11 41.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.79 164.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -129.13 162.63 27.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.45 -125.84 36.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.19 95.26 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.8 t -169.51 146.94 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.56 89.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -140.35 -62.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.98 -27.93 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.65 -48.75 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.756 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.33 -126.35 8.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.0 mm -123.73 142.93 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 20.9 m-85 -134.53 142.85 47.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' A' ' 60' ' ' ILE . 10.8 t -81.78 144.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.21 -50.29 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -136.79 155.43 49.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 32.6 t -135.94 105.82 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.27 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 145.97 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.09 24.35 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 163.5 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . 5.5 p -62.77 -26.91 68.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -67.45 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -30.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.74 -34.58 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -63.69 -22.28 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.92 -12.39 8.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -69.74 152.14 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.33 -174.69 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 t -84.68 144.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.39 15.25 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -114.47 150.52 34.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 58.2 tttt -124.37 104.09 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 4.7 mt -71.96 116.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -98.39 -31.8 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 22.7 tt0 -148.39 154.39 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 21.7 t -147.4 152.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.0 30.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 87.18 -40.62 3.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.02 122.24 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 134.92 46.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.408 HD13 ' CG2' ' A' ' 63' ' ' VAL . 11.4 mt -115.08 38.52 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.31 -30.18 48.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -140.64 45.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 m -118.51 148.02 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.8 t -67.35 165.15 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 10.8 tpp -66.63 -61.32 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -38.11 -69.94 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 m -39.95 -57.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.68 36.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 81' ' ' THR . 93.4 t -69.99 -58.43 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -36.2 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -41.13 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CD2' HG13 ' A' ' 63' ' ' VAL . 6.2 mt -66.64 -10.5 46.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 65.3 p -102.37 5.21 39.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.0 m -129.7 82.56 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 162.48 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -80.64 4.44 18.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -159.58 94.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 1.7 mp -83.82 118.07 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -101.89 87.74 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.504 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 10.0 mtm -90.41 136.12 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -114.23 116.49 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.0 m -105.22 156.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.63 107.47 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.36 137.06 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.1 152.04 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.07 -120.0 5.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.25 -54.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.4 97.35 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 57.23 4.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.67 141.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.9 m -58.97 168.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m 63.27 146.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -80.01 168.65 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.07 -168.99 30.14 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 60.82 150.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -178.72 159.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.045 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.03 128.84 5.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 73.1 -60.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 133.29 55.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.6 mt -133.4 158.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.414 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.1 mm -97.33 148.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.467 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 7.7 m170 -110.49 128.84 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 130.21 47.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.29 148.39 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -130.72 106.96 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.65 152.55 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -115.19 148.62 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -73.16 135.54 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.6 p -114.49 151.02 44.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.43 4.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.47 -60.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.39 -96.42 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 156.81 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 80' ' ' LEU . 1.3 mm? -56.25 154.73 7.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -10.26 57.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CD2' ' CD2' ' A' ' 54' ' ' LEU . 17.2 p90 -124.7 148.33 48.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.09 130.0 37.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.28 159.39 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.09 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.24 -154.44 16.68 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.59 -112.95 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.8 p -171.63 107.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -179.79 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -37.97 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.87 55.57 0.82 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.549 HD12 ' CE1' ' A' ' 39' ' ' PHE . 3.8 pp -116.63 -38.57 3.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.29 -141.05 15.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.6 mm -111.01 140.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 15.7 m-85 -132.93 144.64 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG2' HD12 ' A' ' 60' ' ' ILE . 6.3 t -85.06 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -51.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -129.79 160.81 32.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -144.58 100.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.19 129.92 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.46 161.45 30.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 24.52 5.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 -178.17 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ALA . 61.3 p -76.34 -34.08 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.34 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -29.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -86.28 -36.12 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.77 -22.51 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.59 -11.27 10.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 15.0 tp -73.04 125.26 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.85 -169.98 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 18.1 t -87.6 149.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.06 46.03 5.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -136.15 154.78 50.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 43.6 tttt -127.66 101.64 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.7 mt -69.17 114.73 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -95.81 -33.38 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 88' ' ' MET . 24.2 tt0 -142.85 152.73 42.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.516 ' CG2' ' HG2' ' A' ' 88' ' ' MET . 21.5 t -145.11 144.06 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.7 35.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.85 -41.36 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' VAL . 3.3 mt -61.63 131.29 49.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.07 145.73 28.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -127.13 36.87 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.5 -19.15 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -153.07 33.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.6 m -101.26 148.6 24.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 p -70.05 141.32 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.4 tpp -47.15 -58.82 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -70.21 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 m -39.35 -61.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.43 -46.66 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.503 ' O ' ' CG2' ' A' ' 81' ' ' THR . 88.2 t -64.6 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -26.26 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.2 t -96.14 -42.66 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 3.3 mt -66.84 -10.45 48.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.503 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 8.1 t -105.72 5.19 30.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 t -129.44 -147.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 14.4 m 52.97 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.9 m -117.03 -5.33 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 96.55 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -82.97 108.92 16.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -98.25 86.97 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.516 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 19.0 mtm -89.4 134.21 34.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.52 117.36 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.41 155.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -111.56 117.66 33.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.86 141.4 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.4 mtp -71.69 171.08 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -37.78 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.6 p -169.86 158.61 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.961 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.97 97.72 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -154.15 -52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.73 107.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.582 1.176 . . . . 0.0 110.99 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 92.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -162.29 144.24 10.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.35 161.82 24.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -119.32 132.19 55.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -89.54 125.2 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.87 -148.69 8.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -50.25 171.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 68.73 161.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.1 mt 62.74 164.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 3.6 mm -75.37 140.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -101.28 158.29 16.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -115.33 138.06 51.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.95 148.2 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' CD ' ' CE1' ' A' ' 87' ' ' HIS . 7.0 mtm180 -128.43 111.04 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.59 138.59 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.94 165.4 12.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -80.96 125.78 30.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 162.69 71.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.71 2.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.48 66.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ARG . . . -165.07 63.82 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 36.2 -153.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 110.268 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.629 ' HB3' ' CE1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -84.1 162.63 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.0 3.54 60.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 3.7 p90 -136.63 -178.12 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 128.75 40.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.87 148.01 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -121.14 175.0 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.75 -113.59 1.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.36 109.06 0.91 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.54 113.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.36 -47.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.6 65.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.64 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.39 -47.25 3.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 pp -46.19 170.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 -145.88 8.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.7 mm -86.68 143.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 95.5 m-85 -127.07 138.32 53.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG2' HD13 ' A' ' 60' ' ' ILE . 11.9 t -81.56 126.42 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -54.48 3.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.1 169.11 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.5 t -144.92 108.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.79 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.36 164.61 24.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.02 26.49 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.13 -178.35 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 2.4 m -77.41 -22.34 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -72.24 -69.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -31.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.79 -36.01 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' SER . . . -64.58 -20.58 66.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.64 -8.91 14.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 HD22 ' CG ' ' A' ' 26' ' ' PHE . 15.6 tp -70.92 129.43 39.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.34 -172.57 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 t -84.22 146.77 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.44 -26.09 15.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -51.15 149.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 12.5 tttt -128.23 101.03 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.447 HD13 ' CG2' ' A' ' 40' ' ' VAL . 5.7 mt -67.48 111.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 91' ' ' ARG . 33.6 p -90.47 -23.06 21.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.2 tt0 -159.78 157.72 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.541 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.5 p -157.09 142.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.31 23.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.72 -38.24 3.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 124.8 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.2 t -78.36 140.66 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.541 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 8.4 mt -110.61 19.79 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.25 4.2 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -174.98 47.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -136.7 152.93 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 71' ' ' THR . 8.4 t -69.11 141.57 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -48.99 -51.44 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.53 -69.65 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 t -40.26 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.76 -42.41 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' GLY . 96.4 t -70.33 -57.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.21 -31.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.41 -45.22 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 16.2 mt -61.32 -16.76 49.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.4 t -109.7 5.57 22.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.0 t -129.34 84.17 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 158.78 160.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -111.87 0.08 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.88 91.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.11 146.18 28.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.575 ' CE1' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -127.63 89.37 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.85 151.53 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.479 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -125.23 111.97 15.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.86 154.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' HG2' ' CG2' ' A' ' 61' ' ' THR . 0.1 OUTLIER -110.16 156.05 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.96 149.33 38.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.51 159.73 40.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.15 71.22 2.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.95 133.66 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.69 99.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.85 5.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.4 t 65.45 124.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.0 149.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.67 171.78 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.13 134.8 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.76 -57.15 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 71.3 -61.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.039 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.5 169.45 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.32 -121.07 0.99 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -143.18 -62.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 112.6 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 11' ' ' ILE . 1.5 mt -123.38 154.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.487 ' CG2' ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.92 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 10.2 m170 -110.83 154.73 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -119.0 135.56 54.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.9 p -145.88 149.47 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.34 105.09 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.456 HG21 ' CE ' ' A' ' 88' ' ' MET . 82.0 t -93.43 121.47 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 160.91 24.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' SER . 6.7 ptmt -108.13 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.541 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER 158.26 -49.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 19' ' ' SER . 18.5 Cg_endo -74.95 -31.67 6.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 47.12 64.06 1.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.56 122.63 0.62 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.33 92.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 1.2 mm? -44.17 150.31 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.39 -8.96 40.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CB ' HD23 ' A' ' 54' ' ' LEU . 9.7 p90 -128.29 157.2 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.47 131.58 55.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 m -110.61 148.44 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.238 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -127.12 169.25 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.7 -132.35 11.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.54 96.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -171.41 146.77 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.15 113.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 -56.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.84 69.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 pp -169.47 165.72 10.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.71 -131.63 7.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.0 mm -119.29 141.51 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 75.1 m-85 -122.97 139.73 53.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 60' ' ' ILE . 8.0 t -78.71 123.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -55.22 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.437 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -137.9 167.84 20.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -145.58 109.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 131.44 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.42 160.29 31.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.95 30.8 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -101.0 179.63 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -74.29 -34.01 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -62.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -30.58 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -34.09 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.83 -20.98 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.3 -13.35 9.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' CB ' ' A' ' 26' ' ' PHE . 13.7 tp -65.96 131.0 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.46 -177.21 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 10.7 t -87.01 147.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.14 -28.7 10.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -55.93 154.5 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.554 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 19.6 tttt -129.14 108.56 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 40' ' ' VAL . 6.6 mt -70.18 119.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.1 p -101.16 -21.87 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 25.2 tt0 -164.55 157.43 17.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.469 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 2.1 p -158.97 139.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.59 19.52 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.46 -40.73 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 120.66 11.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 135.08 38.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 5.3 mt -111.82 46.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.68 -6.13 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 p -151.41 27.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.9 164.31 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -91.23 159.57 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -50.79 -56.48 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.43 -69.76 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -40.08 -60.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.12 -48.18 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 81' ' ' THR . 74.9 t -60.76 -43.27 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 81' ' ' THR . 4.0 mttt -51.46 -22.03 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.462 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 43.9 t -97.02 -25.58 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 16.1 mt -86.26 -12.44 49.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.1 p -49.46 -52.68 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t 166.94 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -141.25 22.67 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER 86.61 -43.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.961 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -162.16 101.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 79' ' ' VAL . 16.1 mt -83.89 135.81 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.13 89.93 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.456 ' CE ' HG21 ' A' ' 16' ' ' VAL . 10.6 mtm -90.86 144.72 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.487 ' HB3' ' CG2' ' A' ' 11' ' ' ILE . 41.5 mmm -124.84 116.06 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 35.6 m -102.41 156.03 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' CG ' HD13 ' A' ' 11' ' ' ILE . 8.1 mtt180 -110.66 106.97 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -101.73 165.28 11.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 54.6 mmm 60.83 136.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.31 61.2 0.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t 65.2 124.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.72 143.3 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -179.58 5.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -149.64 -59.01 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.2 m -116.53 161.62 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -148.19 135.9 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -90.24 154.51 19.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.84 174.17 20.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -159.64 126.84 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -154.3 154.64 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.53 119.23 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -141.88 153.62 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.44 107.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp -76.77 161.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.406 ' CG2' ' HE3' ' A' ' 89' ' ' MET . 3.0 mm -101.34 145.86 10.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 9.5 m170 -108.1 128.64 54.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.475 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -97.83 129.59 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.475 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 2.7 p -146.4 148.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -127.42 102.67 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.09 126.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.37 153.75 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 160.82 31.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -140.19 148.76 55.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 81.97 2.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.78 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -49.98 0.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 130.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? -51.7 152.08 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.34 -13.16 35.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CD2' HD21 ' A' ' 54' ' ' LEU . 10.7 p90 -124.39 156.01 37.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.69 129.45 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG13 ' CG2' ' A' ' 38' ' ' ILE . 30.2 m -112.58 144.07 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.36 161.8 18.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.95 -113.75 3.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.78 59.66 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -118.58 170.42 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.29 -51.92 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -42.58 -48.55 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -85.55 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.9 mt 52.08 177.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.47 -158.16 33.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.453 ' CG2' HG13 ' A' ' 28' ' ' VAL . 24.2 mm -110.11 111.53 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 16.4 m-85 -105.26 139.66 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.51 139.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -118.96 -37.2 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.21 160.12 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 55' ' ' CYS . 79.6 t -140.82 111.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.98 135.29 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.03 156.7 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.88 25.69 7.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 169.53 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.797 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -67.01 -35.91 80.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -53.31 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -46.27 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -66.25 -39.42 89.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 14' ' ' VAL . . . -63.62 -25.46 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.62 -7.89 17.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 26' ' ' PHE . 29.2 tp -73.03 127.48 32.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.473 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . 33.1 m -148.66 157.52 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -61.44 152.05 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 -4.8 56.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.99 161.18 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 8.6 tttt -128.78 110.46 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -71.72 111.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -92.5 -19.17 22.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 63' ' ' VAL . 29.4 tt0 -160.38 158.18 29.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.532 ' CG1' ' CD1' ' A' ' 68' ' ' LEU . 1.9 p -156.74 134.89 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.82 21.86 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.56 -41.34 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 119.81 8.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.0 t -77.13 134.24 38.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.532 ' CD1' ' CG1' ' A' ' 63' ' ' VAL . 10.7 mt -114.48 36.81 3.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.66 4.27 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.49 40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.87 156.01 42.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.2 p -65.32 -172.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.0 ttm -91.73 -61.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -42.05 -64.8 1.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -38.87 -52.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -54.68 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' THR . 85.8 t -51.34 -44.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.29 -28.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' N ' ' C ' ' A' ' 77' ' ' VAL . 71.0 t -96.44 -36.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 5.5 mt -67.72 -15.83 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 77' ' ' VAL . 1.8 t -97.95 4.02 49.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -137.71 -148.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 82' ' ' SER . 75.5 m 59.3 120.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -61.15 -14.24 23.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -162.67 106.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 14.0 mt -83.83 143.12 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -123.35 88.94 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.599 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.453 ' HA ' ' HA ' ' A' ' 63' ' ' VAL . 22.0 mtm -89.82 146.95 24.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.2 mmt -130.63 112.67 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 34.8 m -102.43 157.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -112.1 120.73 42.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -134.46 146.28 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ptp -108.12 -11.02 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.39 110.47 1.85 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.4 t -104.63 -54.45 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.76 159.04 32.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.1 m 59.64 114.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -57.97 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.82 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.647 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.0 m170 -104.62 141.6 36.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.15 129.52 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.32 149.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -130.68 105.13 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 88' ' ' MET . 53.6 t -96.55 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.39 -19.45 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' HB3' HD23 ' A' ' 54' ' ' LEU . 13.3 p90 -122.45 154.9 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 125.89 51.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 73' ' ' MET . 5.9 m -107.88 153.82 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -128.74 150.94 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' HD13 ' A' ' 38' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.458 HG23 ' HB ' ' A' ' 28' ' ' VAL . 36.4 mm -123.59 121.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 15.7 m-85 -120.25 142.23 49.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 54' ' ' LEU . 7.0 t -79.46 141.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -119.94 -51.57 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.13 163.85 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.02 108.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -39.04 152.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.81 147.66 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.55 34.72 5.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.31 178.4 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -29.3 61.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.66 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -33.77 44.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.93 -35.57 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.77 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -6.72 18.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 26' ' ' PHE . 21.8 tp -73.76 129.89 38.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.82 -178.65 5.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 9.5 t -81.15 139.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.8 40.36 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -145.14 155.49 43.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 2.2 tttt -128.45 120.32 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.37 114.62 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.1 p -92.69 -31.15 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -152.61 155.88 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.808 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.2 p -156.19 144.1 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 47.49 24.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.83 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 124.01 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.482 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -79.66 131.87 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.3 mt -115.65 43.14 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -90.6 -13.87 33.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.29 42.51 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.05 160.14 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 t -80.13 157.48 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.658 ' CE ' HG23 ' A' ' 28' ' ' VAL . 20.1 tpp -59.25 -56.65 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.59 -69.95 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -40.44 -52.9 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.54 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 69.9 t -49.03 -55.5 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.8 tttt -44.43 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.528 ' O ' HD21 ' A' ' 86' ' ' LEU . 38.3 t -52.23 -40.06 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.777 ' O ' HD21 ' A' ' 24' ' ' LEU . 9.2 mt -60.76 -30.24 69.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -106.06 5.86 30.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -119.3 84.47 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.038 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.8 t 160.41 156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -104.59 -5.03 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.23 90.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.727 HD11 ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -84.46 143.67 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.35 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.561 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.493 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 11' ' ' ILE . 27.8 mmm -127.32 120.33 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.98 159.94 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -112.46 114.86 27.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -95.04 150.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.3 m170 -113.39 137.62 51.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.89 128.71 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.75 149.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.36 102.92 6.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CE ' ' A' ' 88' ' ' MET . 68.3 t -95.55 130.26 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.883 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.16 -16.22 18.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.705 ' HB3' HD23 ' A' ' 54' ' ' LEU . 12.2 p90 -123.69 155.79 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 131.88 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 38' ' ' ILE . 15.9 m -108.69 155.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -126.86 157.46 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 20.2 mm -123.79 129.74 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m-85 -127.43 141.28 51.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 t -79.5 142.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.7 -49.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.1 tmtt? -133.14 166.1 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.33 111.76 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.42 144.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.8 145.47 50.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.87 40.57 5.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.08 162.46 13.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' ALA . 19.1 p -57.72 -32.58 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -61.01 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -36.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.04 -35.45 31.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.5 -21.61 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.69 -7.61 19.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.705 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.3 tp -70.93 128.16 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.35 -173.8 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 41' ' ' SER . 4.0 t -87.4 138.87 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.2 34.38 5.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.498 ' HB3' HG11 ' A' ' 90' ' ' VAL . 25.7 m-20 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 11.4 tttt -126.57 111.03 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.54 111.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -90.0 -24.61 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -157.56 155.5 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.694 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.6 p -157.93 140.62 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.82 18.66 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.73 -35.91 3.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 123.88 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.549 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.32 132.59 38.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.0 mt -113.22 31.71 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -76.77 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -151.95 30.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -105.85 160.0 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.0 p -78.9 -165.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 24.7 ttm -98.31 -51.73 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.24 -61.26 4.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -56.32 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.64 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 73' ' ' MET . 40.8 t -48.51 -57.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -42.36 -69.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD21 ' A' ' 86' ' ' LEU . 26.4 t -52.44 -38.67 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.883 ' O ' HD21 ' A' ' 24' ' ' LEU . 7.8 mt -62.62 -26.79 68.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 78' ' ' LYS . 9.4 t -110.04 5.88 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . 3.8 m -123.32 77.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t 176.23 154.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -12.49 19.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -156.06 91.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 80' ' ' LEU . 6.7 mt -83.87 144.87 28.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -126.58 89.72 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.566 ' CE ' HG21 ' A' ' 16' ' ' VAL . 30.9 mtm -91.28 142.03 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.619 ' HB3' HG23 ' A' ' 11' ' ' ILE . 30.6 mmm -128.91 120.71 26.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 12' ' ' HIS . 28.8 m -103.05 166.35 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.1 101.65 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.2 mm -95.79 140.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' HE2' ' A' ' 89' ' ' MET . 16.0 m-70 -112.31 146.89 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.38 133.71 51.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.6 p -144.91 150.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 10.9 mtm180 -131.42 102.4 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -98.8 138.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.919 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -11.99 35.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.709 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 5.2 p90 -127.36 159.42 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 124.34 50.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.77 147.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -114.18 161.92 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.651 HD12 ' SD ' ' A' ' 73' ' ' MET . 26.2 mm -79.61 154.55 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 19.5 m-85 -136.25 150.38 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.28 131.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.3 t -107.48 -52.65 2.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 167.52 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 50' ' ' GLU . 56.0 t -144.53 109.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.69 128.75 21.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.24 163.5 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.5 27.58 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.23 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.9 p -77.75 -25.01 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -68.51 -68.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.551 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -45.02 -27.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -88.45 -35.7 16.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -64.11 -21.64 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.47 -10.17 11.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 26' ' ' PHE . 13.4 tp -71.95 129.91 39.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.46 -172.42 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 108.285 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' SER . 20.0 t -82.65 142.12 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.64 37.06 7.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -120.83 153.97 36.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 8.9 tttt -128.81 107.66 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.9 mt -73.1 116.31 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.1 p -100.54 -31.28 11.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 21.7 tt0 -143.78 153.52 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.726 HG22 ' CG ' ' A' ' 88' ' ' MET . 94.8 t -151.72 123.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.23 19.27 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 -34.82 5.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.93 130.69 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.468 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.66 131.66 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 67' ' ' SER . 4.9 mt -114.16 45.14 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.21 1.2 37.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 p -179.09 67.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -141.43 153.6 45.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 75' ' ' SER . 1.8 t -59.9 139.93 57.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.5 tpp -53.42 -57.36 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.09 -65.32 0.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.531 ' HB2' HG23 ' A' ' 72' ' ' THR . 2.1 m -39.85 -63.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.88 -49.8 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 79' ' ' VAL . 75.0 t -61.72 -56.78 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -39.93 -29.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -90.2 -45.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.919 ' C ' HD21 ' A' ' 24' ' ' LEU . 4.5 mt -58.58 -16.46 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.478 ' N ' HD21 ' A' ' 24' ' ' LEU . 9.8 t -107.94 5.53 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 1.2 t -129.69 85.67 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.7 t 159.62 138.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t -89.64 -2.61 58.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -162.69 88.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 80' ' ' LEU . 6.4 mt -84.47 145.02 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.62 89.61 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.726 ' CG ' HG22 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -100.63 148.86 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -129.39 119.54 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.6 m -102.44 153.54 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt-85 -111.53 111.48 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.596 HD11 ' NH1' ' A' ' 91' ' ' ARG . 2.8 mm -92.64 152.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.496 ' HB2' HG22 ' A' ' 90' ' ' VAL . 13.5 m-70 -118.36 136.26 53.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.632 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.445 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -99.72 128.98 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.8 p -145.9 150.54 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.555 HH21 ' NE ' ' A' ' 85' ' ' ARG . 23.1 mtp180 -133.79 105.76 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.612 HG21 ' CE ' ' A' ' 88' ' ' MET . 70.7 t -98.93 124.68 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.89 45.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.3 p90 -128.66 155.29 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.69 126.14 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' CE ' ' A' ' 73' ' ' MET . 15.9 m -108.68 149.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -117.29 156.85 27.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 73' ' ' MET . 33.8 mm -95.43 128.29 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 44.7 m-85 -119.89 141.64 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 54' ' ' LEU . 18.2 t -80.79 146.53 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -47.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 38.8 tptt -139.4 156.88 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 43.0 t -138.06 107.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.35 145.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.21 147.88 36.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 28.0 10.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.91 179.61 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.4 m -75.88 -30.86 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.08 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -27.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -87.1 -36.43 18.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.78 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.31 -3.24 18.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 40' ' ' VAL . 26.7 tp -73.61 132.17 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.01 -178.9 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.7 t -88.08 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.52 -4.92 62.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.08 159.19 34.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 35.2 tttt -128.35 103.27 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.1 mt -72.85 120.2 21.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.0 p -103.56 -17.76 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.3 tt0 -160.68 158.77 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.848 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.73 136.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.17 21.7 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.59 -43.49 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 122.41 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.87 135.07 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 ' CG1' ' A' ' 63' ' ' VAL . 13.4 mt -107.77 37.62 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.06 -0.9 57.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.69 34.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.25 155.11 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -67.99 -164.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.542 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.8 ttm -94.77 -51.68 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.96 -64.74 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -38.43 -61.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.044 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -44.08 -47.66 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' LEU . 65.8 t -66.31 -60.78 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -35.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' SER . 58.1 t -79.65 -45.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 86' ' ' LEU . 1.6 mt -59.93 -31.09 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -87.19 5.27 38.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' SER . 8.2 t -134.06 90.92 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER 159.28 142.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -97.25 33.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.555 ' NE ' HH21 ' A' ' 15' ' ' ARG . 6.1 mtp180 169.4 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 80' ' ' LEU . 1.1 mp -93.51 131.24 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.463 ' NE2' ' SD ' ' A' ' 89' ' ' MET . 3.4 t-80 -119.34 89.77 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.612 ' CE ' HG21 ' A' ' 16' ' ' VAL . 6.2 mtm -89.99 147.61 23.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.463 ' SD ' ' NE2' ' A' ' 87' ' ' HIS . 1.4 mmt -131.46 115.28 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.6 m -102.76 158.09 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.596 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -114.23 100.97 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -97.88 141.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.4 m-70 -99.98 140.75 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.6 127.46 53.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.0 p -145.74 147.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 4.7 mtm180 -130.02 103.4 6.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.23 118.9 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.43 -15.29 23.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 11.7 p90 -124.61 158.58 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 128.69 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' HE3' ' A' ' 73' ' ' MET . 7.0 m -107.85 156.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -126.6 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 ' SD ' ' A' ' 73' ' ' MET . 50.2 mm -89.75 128.61 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -119.97 161.08 21.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 t -93.44 147.93 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -48.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 21.4 tptm -140.25 153.3 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 42.9 t -134.83 105.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 125.65 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.07 159.08 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.95 36.64 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 p -108.73 -178.02 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 4.7 m -71.15 -36.13 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.2 -72.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -32.99 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -77.67 -39.64 44.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.18 -23.53 67.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.88 -2.28 17.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.0 tp -70.79 128.37 35.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.2 p -119.7 179.99 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.06 138.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.13 14.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.9 m-20 -103.5 164.8 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -130.0 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG2' HG23 ' A' ' 63' ' ' VAL . 8.6 mt -75.73 118.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -100.93 -23.56 14.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 20.0 tt0 -157.72 156.86 32.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.747 HG13 ' HG3' ' A' ' 88' ' ' MET . 82.5 t -153.53 126.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.48 24.95 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.25 -47.28 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 124.82 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -83.39 122.95 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 71' ' ' THR . 12.2 mt -102.71 43.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.28 -12.59 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -167.72 55.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -129.06 151.61 49.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.436 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 75' ' ' SER . 2.2 t -67.47 136.5 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.673 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.4 tpp -44.22 -49.37 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.07 -70.21 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m -40.11 -60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.75 -45.27 14.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 73' ' ' MET . 99.1 t -65.84 -57.44 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -44.0 -39.88 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 75' ' ' SER . 46.3 t -79.89 -45.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 86' ' ' LEU . 5.8 mt -60.15 -19.33 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 77' ' ' VAL . 12.0 t -109.3 5.29 23.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -130.08 81.79 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.02 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.3 m -94.8 7.02 47.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -166.73 97.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 80' ' ' LEU . 1.3 mp -88.15 123.64 33.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -110.41 87.98 2.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.747 ' HG3' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.17 142.89 28.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 31.7 mmm -133.45 122.27 23.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.5 m -101.71 159.06 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -107.88 101.91 11.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.85 144.14 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m-70 -109.36 134.1 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.5 OUTLIER -98.72 126.98 44.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.1 p -145.17 147.89 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 5.2 mtt180 -131.65 103.82 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -92.03 139.84 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.57 -14.22 34.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 80' ' ' LEU . 11.4 p90 -123.21 155.32 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.74 126.9 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 73' ' ' MET . 11.8 m -108.72 157.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -124.44 163.75 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 73' ' ' MET . 30.3 mm -95.6 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 13.3 m-85 -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.44 147.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -126.31 -50.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.77 157.34 47.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.96 102.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.56 128.5 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.26 165.81 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.56 34.02 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -104.18 -178.08 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.039 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.6 p -75.74 -35.27 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -63.18 -64.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -36.07 58.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.37 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.86 -13.79 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.9 tp -67.67 128.52 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -174.07 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -89.85 140.75 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.27 23.7 8.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.02 159.65 35.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.28 124.53 32.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.23 111.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.579 HG22 ' CD ' ' A' ' 59' ' ' LYS . 43.8 p -94.13 -19.23 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -156.94 153.64 28.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.903 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -160.65 134.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 65.13 11.82 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.9 -31.93 7.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 66' ' ' LEU . 2.9 mt -74.14 136.75 42.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.07 141.95 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 63' ' ' VAL . 12.8 mt -118.21 36.68 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -86.68 -10.29 54.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 p -151.69 38.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.64 152.87 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 t -64.78 -171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.461 ' CE ' HG23 ' A' ' 28' ' ' VAL . 6.6 ttm -90.52 -61.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.02 -66.23 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.9 t -39.79 -54.12 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.4 61.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' LEU . 92.6 t -56.27 -52.79 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.0 -43.37 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 75' ' ' SER . 62.1 t -70.91 -38.59 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 67.7 mt -69.03 -17.92 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.7 p -100.6 4.86 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -137.04 92.34 2.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.57 131.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -88.03 6.22 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.2 91.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD13 HD23 ' A' ' 80' ' ' LEU . 16.9 mt -87.08 142.52 27.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -123.15 89.73 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.41 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 17.0 mtm -90.6 147.61 23.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -130.13 115.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.622 HG22 ' HB2' ' A' ' 12' ' ' HIS . 32.2 m -102.43 158.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -117.21 103.66 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.0 mm -87.28 148.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.6 m170 -105.1 142.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.6 125.92 53.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.7 p -145.28 146.04 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -124.43 103.59 8.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 88' ' ' MET . 64.7 t -99.13 157.45 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.622 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -12.11 40.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.9 p90 -124.82 155.1 39.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 129.41 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.1 154.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -122.88 153.35 39.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 38' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 37' ' ' GLY . 28.3 mm -131.37 116.97 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 32.6 m-85 -112.22 137.59 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t -74.84 147.19 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.43 -49.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.3 tptt -139.86 153.57 47.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.732 HG12 ' HG3' ' A' ' 50' ' ' GLU . 63.5 t -133.31 106.87 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 140.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' SER . 5.5 mm-40 -78.48 170.25 16.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.81 30.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.5 p -104.33 177.78 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.6 t -76.16 -29.88 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.57 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.732 ' HG3' HG12 ' A' ' 43' ' ' VAL . 2.0 mt-10 -43.86 -33.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -35.46 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.94 -19.68 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -11.23 16.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.597 ' O ' HG11 ' A' ' 43' ' ' VAL . 15.6 tp -72.37 130.61 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.542 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -151.92 179.01 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.269 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 76.7 t -72.19 142.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.1 39.75 4.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' HG11 ' A' ' 90' ' ' VAL . 31.0 m-20 -139.18 152.6 47.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 49.8 tttt -129.17 104.99 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' ' 90' ' ' VAL . 7.9 mt -66.92 113.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.4 p -91.98 -31.71 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -153.65 155.36 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.822 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.4 p -156.52 142.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 t30 52.07 21.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.24 3.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 124.85 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.545 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.29 127.2 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.822 HD11 ' CG1' ' A' ' 63' ' ' VAL . 4.8 mt -109.67 48.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.09 11.38 30.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m 170.44 48.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -119.64 162.01 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 p -77.85 141.64 39.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.471 ' O ' HG23 ' A' ' 77' ' ' VAL . 16.2 ttm -46.47 -60.86 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.84 -66.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 m -39.37 -63.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.01 -53.85 9.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.671 ' O ' HG22 ' A' ' 81' ' ' THR . 97.7 t -55.49 -50.19 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -30.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -44.02 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.622 ' C ' HD21 ' A' ' 24' ' ' LEU . 32.3 mt -61.84 -13.73 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.8 t -108.89 -8.08 15.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.2 t -122.27 89.42 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.4 m 159.45 129.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -91.12 22.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -85.04 140.69 30.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -121.57 89.69 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.477 ' CE ' HG21 ' A' ' 16' ' ' VAL . 17.7 mtm -91.33 143.15 26.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.602 ' HB3' HG23 ' A' ' 11' ' ' ILE . 42.3 mmm -128.43 117.31 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.9 m -102.72 157.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -109.81 119.13 38.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.5 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.8 mm -92.46 151.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -108.51 137.67 46.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.58 129.1 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.5 p -145.61 149.32 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.0 104.88 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -96.66 117.58 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.018 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.85 -15.71 21.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.9 p90 -126.05 154.55 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.06 132.84 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.436 HG23 ' CE ' ' A' ' 73' ' ' MET . 4.1 m -112.33 155.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.27 157.15 42.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 ' SD ' ' A' ' 73' ' ' MET . 20.7 mm -98.58 137.02 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 25.6 m-85 -122.03 158.38 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -93.7 147.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.57 -49.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.5 tptt -137.71 155.46 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.524 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.1 t -138.61 103.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.52 123.84 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.21 162.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.26 28.11 3.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 p -105.46 -178.64 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -72.79 -34.29 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.61 -70.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -30.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -80.82 -39.9 25.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.33 -22.04 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.74 -10.93 12.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 26' ' ' PHE . 14.4 tp -68.52 126.14 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.89 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 6.6 t -89.01 142.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.35 42.72 4.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 90' ' ' VAL . 7.7 m-20 -126.13 159.24 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.3 tttt -130.23 97.62 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.4 mt -69.71 114.34 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.5 p -94.23 -33.05 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 18.8 tt0 -146.49 154.64 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.852 HG13 ' HG3' ' A' ' 88' ' ' MET . 17.3 t -143.11 145.39 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.6 OUTLIER 38.32 32.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 89.26 -43.9 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.0 120.63 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.9 t -74.01 131.01 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 mt -108.69 31.5 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 2.4 mt-10 -86.21 100.51 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER 84.8 26.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -102.67 148.06 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.8 t -63.6 165.37 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.7 tpp -74.54 -54.79 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -69.91 0.44 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -41.04 -54.67 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.89 19.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' THR . 73.7 t -45.48 -51.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 81' ' ' THR . 0.3 OUTLIER -45.88 -71.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.76 -39.16 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.018 ' O ' HD21 ' A' ' 24' ' ' LEU . 10.0 mt -61.88 -26.25 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 78' ' ' LYS . 12.3 t -110.79 6.21 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 7.2 t -126.71 94.69 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 159.8 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.29 -5.2 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -156.06 87.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.686 HD23 HD23 ' A' ' 80' ' ' LEU . 5.3 mp -83.75 127.13 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 88.05 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.633 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.852 ' HG3' HG13 ' A' ' 63' ' ' VAL . 32.8 mtm -90.49 134.37 34.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.583 ' HB3' HG23 ' A' ' 11' ' ' ILE . 23.5 mmm -122.4 119.6 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 12' ' ' HIS . 30.8 m -102.54 157.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -111.75 108.63 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -95.2 142.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 90' ' ' VAL . 8.2 m170 -101.21 126.32 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.444 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.6 128.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.59 150.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -134.91 109.44 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.59 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 96.3 t -99.41 144.09 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.22 -10.46 41.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.7 p90 -125.06 154.93 40.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.79 118.21 35.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 38' ' ' ILE . 33.6 m -108.05 143.71 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -114.26 157.56 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 28' ' ' VAL . 11.4 mm -114.42 130.59 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 6.5 m-85 -119.29 139.9 51.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.73 140.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.95 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -134.12 159.01 42.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.82 110.14 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 131.65 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.65 164.84 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 40.76 29.86 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.85 -178.76 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.9 m -74.63 -34.87 62.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.3 -65.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -86.79 -35.44 19.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.39 -21.86 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.41 -7.22 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.1 tp -72.53 129.27 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -171.96 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.1 t -84.99 143.68 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.46 7.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' HG11 ' A' ' 90' ' ' VAL . 22.7 m-20 -124.65 146.57 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 33.4 tttt -122.17 108.68 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.63 119.86 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.5 p -102.0 -18.63 15.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 28.5 tt0 -159.27 158.18 32.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.841 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.09 137.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.425 ' OD1' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 50.15 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.11 -43.59 2.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 124.54 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.74 140.62 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.841 HD11 ' CG1' ' A' ' 63' ' ' VAL . 9.3 mt -113.75 32.79 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.43 8.24 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 t -178.69 46.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.45 155.91 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -78.22 148.35 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.482 ' CE ' HG23 ' A' ' 28' ' ' VAL . 18.8 tpp -46.89 -54.82 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.29 -69.64 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.24 -58.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.22 -44.5 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.688 ' O ' HG22 ' A' ' 81' ' ' THR . 77.9 t -68.29 -51.62 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.28 -27.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -91.96 -46.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 86' ' ' LEU . 63.7 mt -62.22 -13.4 27.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 77' ' ' VAL . 9.2 t -109.31 5.32 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 31.1 t -139.67 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.5 m 159.88 129.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 m -81.32 -3.17 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -162.46 96.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD13 HD23 ' A' ' 80' ' ' LEU . 23.5 mt -84.47 146.53 27.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -126.03 89.03 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.59 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 19.2 mtm -91.07 146.72 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -130.23 116.04 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.78 156.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -110.83 110.34 20.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -88.97 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.531 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -99.48 137.35 38.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.1 131.65 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 88' ' ' MET . 2.9 p -145.59 148.15 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 69.6 mtt180 -129.33 111.44 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 49' ' ' ALA . 94.4 t -108.46 149.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.77 -8.1 45.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CD2' HD21 ' A' ' 54' ' ' LEU . 1.9 p90 -131.54 157.6 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.36 128.97 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG23 ' CE ' ' A' ' 73' ' ' MET . 10.2 m -110.28 151.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 30' ' ' GLY . 23.8 ptt85 -101.52 152.69 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.19 147.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 59' ' ' LYS . 18.1 m-85 -138.03 150.43 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 t -88.37 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.98 -42.81 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 13.5 tptm -139.29 154.23 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 54' ' ' LEU . 42.3 t -137.3 103.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.63 130.11 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.32 164.23 24.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.58 31.05 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -73.69 -35.27 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.93 -66.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -31.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -85.29 -35.35 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.94 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.05 -10.94 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.603 HD21 ' CD2' ' A' ' 26' ' ' PHE . 12.9 tp -73.82 126.2 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -175.05 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.9 t -79.83 140.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 34.11 6.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.602 ' HB3' HG11 ' A' ' 90' ' ' VAL . 6.0 m-20 -116.98 156.43 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 9.7 ttpt -129.54 97.76 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.14 114.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.4 p -97.96 -32.45 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 19.0 tt0 -146.84 154.72 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.873 HG13 ' HG3' ' A' ' 88' ' ' MET . 23.1 t -144.79 147.06 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.09 30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 89.64 -42.87 2.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -54.61 119.48 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.652 ' C ' HD23 ' A' ' 68' ' ' LEU . 9.8 t -72.27 127.5 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 67' ' ' SER . 9.0 mt -116.24 32.09 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 p -132.65 46.8 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -123.91 147.83 47.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -68.54 -172.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.451 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.9 ttm -85.47 -57.92 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.92 -67.18 0.78 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -49.86 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.56 80.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 81' ' ' THR . 79.3 t -67.97 -51.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -46.82 -31.69 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.32 -45.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.915 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -61.55 -13.7 23.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 77' ' ' VAL . 13.8 t -109.59 5.34 22.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -131.2 83.2 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.31 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -92.79 25.64 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 179.8 93.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.915 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.5 mp -88.38 117.61 27.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 47.4 m170 -103.67 87.71 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.873 ' HG3' HG13 ' A' ' 63' ' ' VAL . 12.7 mtm -91.29 139.21 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.662 ' HB3' HG23 ' A' ' 11' ' ' ILE . 25.4 mmm -126.79 119.37 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 58' ' ' ASP . 31.4 m -102.52 155.64 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -110.2 122.79 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.3 mm -95.16 140.68 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 10.6 m-70 -108.76 129.94 55.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.443 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.66 128.35 41.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.63 148.63 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mtt180 -128.72 107.31 9.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -100.21 133.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' HE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.03 -8.9 45.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' A' ' 24' ' ' LEU . 3.3 p90 -129.43 155.67 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -106.12 126.08 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' CE ' ' A' ' 73' ' ' MET . 17.3 m -108.43 146.82 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -112.06 156.17 22.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -102.04 133.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 22.0 m-85 -128.99 141.01 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.13 149.19 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 1.1 p -125.5 -42.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -151.07 168.66 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG21 ' HA ' ' A' ' 55' ' ' CYS . 58.4 t -143.58 109.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.54 137.33 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 152.29 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.54 42.69 10.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.3 p -108.49 173.06 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ALA . 62.8 m -69.34 -29.68 67.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.16 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -41.24 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.52 -39.67 58.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.09 -24.58 67.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.2 2.06 20.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 34.3 tp -82.35 127.72 33.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.76 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.753 ' HA ' HG21 ' A' ' 43' ' ' VAL . 80.1 m -150.15 150.21 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.258 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -54.25 152.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.35 -3.53 47.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' OD2' HG21 ' A' ' 90' ' ' VAL . 3.4 m-20 -105.11 160.86 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -128.87 111.2 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.84 113.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -96.93 -19.85 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -159.13 154.91 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.941 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.3 p -160.2 137.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.8 16.49 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.62 -25.52 20.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.8 mt -77.62 134.06 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -83.48 142.21 31.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG1' ' A' ' 63' ' ' VAL . 7.2 mt -121.52 31.87 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.68 -15.16 58.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.25 50.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 72' ' ' THR . 1.0 OUTLIER -132.4 158.91 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.441 ' O ' HG22 ' A' ' 71' ' ' THR . 1.1 t -76.08 169.05 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.42 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.591 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.1 ttm -71.8 -58.8 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -38.54 -69.55 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' GLY . 8.3 t -39.0 -60.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.33 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 81' ' ' THR . 94.5 t -56.66 -57.16 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -38.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -77.37 -44.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.924 ' O ' HD11 ' A' ' 86' ' ' LEU . 16.0 mt -58.56 -41.46 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' VAL . 5.9 t -81.06 5.35 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 9.4 t -127.96 85.45 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 160.46 142.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 6.2 t -97.29 12.27 33.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 84' ' ' SER . 0.0 OUTLIER -171.52 89.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.924 HD11 ' O ' ' A' ' 80' ' ' LEU . 9.1 mt -84.82 145.71 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -128.28 90.61 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm -89.68 149.06 22.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.1 mmt -129.46 112.61 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.7 m -102.31 158.57 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -118.73 109.22 15.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.261 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -97.12 145.41 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.588 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.8 m170 -102.39 136.83 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.97 130.64 53.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.4 p -145.78 149.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 103.89 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 ' HE1' ' A' ' 88' ' ' MET . 38.6 t -96.66 156.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.15 -12.17 36.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -125.42 157.49 36.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.42 134.95 53.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.539 HG23 ' CE ' ' A' ' 73' ' ' MET . 13.5 m -114.18 153.18 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.08 158.23 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' A' ' 73' ' ' MET . 25.6 mm -109.74 137.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 12.2 m-85 -130.43 142.38 50.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 t -79.16 147.03 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.96 -49.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.3 tptp -134.97 150.77 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.0 t -136.23 103.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.86 128.23 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' SER . 7.5 pt-20 -67.04 168.7 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.61 31.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.7 p -104.96 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 94.7 p -72.98 -31.55 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -31.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -35.46 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.06 -21.45 66.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.65 -8.94 14.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.608 ' O ' HG11 ' A' ' 43' ' ' VAL . 16.0 tp -78.02 127.39 32.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 m -139.01 -176.05 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.2 t -80.0 136.01 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.49 35.03 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' HB3' HG11 ' A' ' 90' ' ' VAL . 29.7 m-20 -130.25 156.21 45.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.7 tttt -129.89 110.1 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.66 114.65 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.974 HG21 ' HG2' ' A' ' 91' ' ' ARG . 40.6 p -91.15 -23.58 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.1 tt0 -165.63 157.95 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.815 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -155.09 136.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.521 ' OD1' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER 52.77 27.49 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -40.52 3.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 117.46 4.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -76.64 134.67 39.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.815 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.6 mt -112.86 27.08 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.84 1.54 34.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.674 HG21 HD22 ' A' ' 68' ' ' LEU . 1.3 t -129.99 162.59 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.11 143.33 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.6 ttm -46.21 -65.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -37.89 -64.9 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -38.44 -58.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -51.37 -56.57 12.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 81' ' ' THR . 83.9 t -52.16 -49.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -41.15 -31.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' O ' HD21 ' A' ' 86' ' ' LEU . 96.7 t -89.57 -40.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.93 ' O ' HD21 ' A' ' 24' ' ' LEU . 30.5 mt -67.3 -9.85 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.542 HG23 HG12 ' A' ' 77' ' ' VAL . 2.8 p -89.44 -22.17 22.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -115.79 -147.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 55.0 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -64.91 -10.1 26.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -150.65 95.22 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.521 HD23 ' OD1' ' A' ' 64' ' ' ASN . 23.3 mt -83.71 135.77 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.87 87.25 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 109.609 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.491 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -91.75 145.75 24.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.515 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.7 mmm -132.71 123.34 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.57 156.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.974 ' HG2' HG21 ' A' ' 61' ' ' THR . 12.2 mmt180 -91.95 162.26 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' NE2' ' A' ' 12' ' ' HIS . 23.9 tpt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.1 mm -98.89 131.14 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -96.73 168.43 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.15 126.87 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.3 p -145.35 146.68 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 19.1 mtp180 -128.73 102.6 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 88' ' ' MET . 72.0 t -96.97 109.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.64 -9.4 51.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.735 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 9.6 p90 -125.82 152.37 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -106.68 124.08 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -108.6 151.01 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.01 160.94 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 73' ' ' MET . 16.5 mm -110.32 130.16 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 23.3 m-85 -121.17 139.4 53.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.96 143.0 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -120.21 -39.6 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 169.37 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 55' ' ' CYS . 69.1 t -146.77 125.1 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -47.6 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.45 136.15 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.65 45.45 1.45 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.0 p -109.0 -178.17 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 m -53.53 -46.42 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.14 -70.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -32.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -79.3 -39.26 33.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.01 -25.27 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.05 7.61 30.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.499 ' O ' HG11 ' A' ' 43' ' ' VAL . 22.9 tp -82.75 124.87 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.559 ' HA ' HG21 ' A' ' 43' ' ' VAL . 1.7 p -138.97 141.29 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -45.11 146.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.83 -11.21 27.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.768 ' OD2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -100.53 163.73 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 11.5 tttt -130.34 115.3 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 90' ' ' VAL . 6.8 mt -71.66 114.11 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.7 p -94.93 -21.76 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.0 tt0 -165.51 160.01 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.801 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.54 140.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.14 24.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 93.61 -37.03 3.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 121.52 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 137.25 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 ' CG1' ' A' ' 63' ' ' VAL . 18.4 mt -108.09 17.4 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.15 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.8 m -114.62 51.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 152.03 44.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -75.42 162.75 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.434 ' HA ' HD11 ' A' ' 38' ' ' ILE . 1.7 ttm -56.4 -57.16 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.22 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.16 -54.85 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HB2' HD22 ' A' ' 68' ' ' LEU . . . -52.29 -51.25 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' VAL . 66.3 t -59.25 -56.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.5 tttt -39.07 -30.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -89.83 -46.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 17.3 mt -59.95 -15.79 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' VAL . 15.3 t -110.61 5.24 20.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 83' ' ' SER . 4.6 t -134.91 89.93 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.1 125.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -75.46 -6.42 50.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 93.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 16.1 mt -83.91 143.06 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -124.56 89.41 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.591 ' CE ' HG21 ' A' ' 16' ' ' VAL . 24.6 mtm -90.61 142.61 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.668 ' HB3' HG23 ' A' ' 11' ' ' ILE . 43.1 mmm -125.4 114.73 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.768 HG21 ' OD2' ' A' ' 58' ' ' ASP . 27.8 m -102.76 155.52 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -106.21 105.19 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -92.1 145.25 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.3 m-70 -111.97 150.42 30.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.649 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.9 133.83 54.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' MET . 2.7 p -145.86 150.1 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -131.03 104.8 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 49' ' ' ALA . 42.2 t -99.99 118.45 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 6.45 59.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 20.2 p90 -138.0 158.81 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.72 129.27 55.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' CE ' ' A' ' 73' ' ' MET . 22.3 m -108.53 154.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -125.37 167.12 15.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.6 mm -107.98 137.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.78 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 59' ' ' LYS . 6.0 m-85 -133.48 143.13 48.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 54' ' ' LEU . 16.2 t -73.51 147.78 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.31 -48.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 158.2 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.99 114.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.84 149.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 138.08 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.55 32.78 10.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 170.58 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.06 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.2 t -67.96 -28.01 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.15 -58.51 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -30.44 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -86.09 -36.54 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.86 -23.14 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.13 -14.26 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.2 tp -63.07 142.12 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.725 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.5 174.59 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 108.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 138.48 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.72 -28.8 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB3' HG11 ' A' ' 90' ' ' VAL . 78.6 m-20 -52.56 156.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.602 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.57 102.8 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -69.45 117.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.8 p -101.33 -19.51 15.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.43 153.94 9.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 2.3 p -155.38 128.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 63' ' ' VAL . 4.2 m120 84.44 -42.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.78 -38.13 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -71.89 128.8 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' HD23 ' A' ' 68' ' ' LEU . 41.4 t -75.22 129.51 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.2 mt -105.48 42.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.79 -26.1 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -142.1 37.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -112.82 143.38 44.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -60.04 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.521 ' CE ' HG23 ' A' ' 28' ' ' VAL . 3.3 ttm -95.9 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.3 -67.76 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -42.43 -50.37 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.21 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 80' ' ' LEU . 95.7 t -54.69 -47.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -52.7 -45.76 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' SER . 60.8 t -70.37 -27.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.836 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -77.9 -13.62 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 p -106.37 5.58 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -125.78 69.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t 177.02 136.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 t -91.02 3.65 54.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.63 89.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.836 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.6 mp -84.46 134.94 34.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -123.96 90.44 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 14' ' ' VAL . 30.2 mtm -89.83 141.36 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 32.4 mmm -123.88 116.8 23.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 58' ' ' ASP . 33.2 m -102.8 158.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 HD11 ' A' ' 11' ' ' ILE . 1.9 mtp85 -112.9 111.81 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -92.94 142.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.51 ' O ' ' HE3' ' A' ' 89' ' ' MET . 5.6 m-70 -100.55 150.71 22.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.47 52.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.0 p -145.54 149.15 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -134.73 105.22 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 88' ' ' MET . 43.0 t -93.04 145.67 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -22.41 2.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 24' ' ' LEU . 30.1 p90 -120.74 159.97 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.85 140.27 50.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 73' ' ' MET . 27.8 m -114.53 156.67 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -141.0 166.59 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 ' SD ' ' A' ' 73' ' ' MET . 15.6 mm -90.64 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 49.6 m-85 -131.22 135.84 47.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.07 128.04 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.17 -54.56 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.84 168.55 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -143.49 106.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.39 123.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 148.93 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.45 51.01 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.6 p -108.94 166.06 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -28.19 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -66.97 -62.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -29.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -88.34 -34.82 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.92 -21.38 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.05 -12.37 9.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 14.9 tp -68.9 146.42 52.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.98 -171.28 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.16 146.68 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.18 -24.93 24.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB3' HG11 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -57.98 152.39 16.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 22.2 tttt -129.92 109.69 11.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.78 116.01 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.2 p -98.06 -19.23 18.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 21.7 tt0 -164.34 155.48 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 68' ' ' LEU . 1.3 p -150.52 139.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.34 24.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 94.46 -34.7 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.09 131.23 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -83.22 146.69 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 63' ' ' VAL . 23.7 mt -116.98 18.82 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.88 -42.78 57.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 p -124.71 54.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.37 153.58 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 p -71.04 139.28 50.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.627 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.3 tpp -43.63 -62.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.28 -60.77 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -39.6 -66.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -39.99 -51.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 81' ' ' THR . 64.3 t -61.01 -54.24 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -30.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.19 -45.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.734 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 14.7 mt -60.35 -33.32 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 77' ' ' VAL . 29.9 p -62.93 -33.89 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -107.14 -141.89 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t 58.38 111.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -68.7 -8.13 39.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -156.58 95.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -83.83 130.01 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CD2' ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -117.93 87.67 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.514 ' HE1' HG21 ' A' ' 16' ' ' VAL . 9.4 mtm -91.4 143.69 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.665 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.4 mmm -129.26 117.01 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 58' ' ' ASP . 34.6 m -101.96 156.39 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -107.1 117.82 35.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -99.41 145.35 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.524 ' O ' ' HE2' ' A' ' 89' ' ' MET . 30.4 m-70 -115.11 137.85 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -105.01 136.33 44.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 88' ' ' MET . 2.2 p -145.57 153.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 5.3 mtm180 -134.26 108.51 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 93.7 t -104.86 138.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.717 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.73 60.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.8 p90 -135.79 154.38 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.31 137.11 41.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG23 ' HE3' ' A' ' 73' ' ' MET . 2.7 m -112.79 164.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -129.13 162.63 27.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 73' ' ' MET . 10.0 mm -123.73 142.93 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 20.9 m-85 -134.53 142.85 47.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG22 HD11 ' A' ' 60' ' ' ILE . 10.8 t -81.78 144.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.21 -50.29 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -136.79 155.43 49.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 32.6 t -135.94 105.82 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.27 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 145.97 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.09 24.35 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 163.5 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . 5.5 p -62.77 -26.91 68.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -67.45 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -30.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.74 -34.58 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 15' ' ' ARG . . . -63.69 -22.28 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.92 -12.39 8.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -69.74 152.14 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.33 -174.69 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 t -84.68 144.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.39 15.25 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 90' ' ' VAL . 79.7 m-20 -114.47 150.52 34.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 58.2 tttt -124.37 104.09 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 4.7 mt -71.96 116.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -98.39 -31.8 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 22.7 tt0 -148.39 154.39 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.791 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.7 t -147.4 152.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.506 ' ND2' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.0 30.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 87.18 -40.62 3.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.02 122.24 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -71.7 134.92 46.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 67' ' ' SER . 11.4 mt -115.08 38.52 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.31 -30.18 48.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -140.64 45.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 m -118.51 148.02 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.8 t -67.35 165.15 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.507 ' HE3' HG23 ' A' ' 28' ' ' VAL . 10.8 tpp -66.63 -61.32 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -38.11 -69.94 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 m -39.95 -57.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.68 36.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.959 ' O ' HG23 ' A' ' 81' ' ' THR . 93.4 t -69.99 -58.43 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -36.2 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -41.13 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.955 ' O ' HD21 ' A' ' 86' ' ' LEU . 6.2 mt -66.64 -10.5 46.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.959 HG23 ' O ' ' A' ' 77' ' ' VAL . 65.3 p -102.37 5.21 39.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.0 m -129.7 82.56 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 162.48 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -80.64 4.44 18.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -159.58 94.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.955 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.7 mp -83.82 118.07 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -101.89 87.74 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.791 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.0 mtm -90.41 136.12 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.524 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -114.23 116.49 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.0 m -105.22 156.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.63 107.47 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.33 148.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.645 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.4 m80 -110.49 128.84 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 130.21 47.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -146.29 148.39 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -130.72 106.96 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HE3' ' A' ' 88' ' ' MET . 99.5 t -97.65 152.55 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 80' ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -10.26 57.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CD2' ' CD2' ' A' ' 54' ' ' LEU . 17.2 p90 -124.7 148.33 48.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.09 130.0 37.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.28 159.39 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.09 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 73' ' ' MET . 39.6 mm -111.01 140.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 15.7 m-85 -132.93 144.64 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -85.06 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -51.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -129.79 160.81 32.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 54' ' ' LEU . 44.1 t -144.58 100.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.19 129.92 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.46 161.45 30.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 24.52 5.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 -178.17 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ALA . 61.3 p -76.34 -34.08 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.34 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -29.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -86.28 -36.12 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.77 -22.51 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.59 -11.27 10.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 15.0 tp -73.04 125.26 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.85 -169.98 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 18.1 t -87.6 149.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.06 46.03 5.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' HG11 ' A' ' 90' ' ' VAL . 2.5 m-20 -136.15 154.78 50.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 43.6 tttt -127.66 101.64 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.7 mt -69.17 114.73 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -95.81 -33.38 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' MET . 24.2 tt0 -142.85 152.73 42.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.5 t -145.11 144.06 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.7 35.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.85 -41.36 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' VAL . 3.3 mt -61.63 131.29 49.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.808 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -84.07 145.73 28.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 67' ' ' SER . 7.1 mt -127.13 36.87 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.5 -19.15 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -153.07 33.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.6 m -101.26 148.6 24.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 p -70.05 141.32 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.4 tpp -47.15 -58.82 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -70.21 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 m -39.35 -61.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.43 -46.66 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.825 ' O ' HG22 ' A' ' 81' ' ' THR . 88.2 t -64.6 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' C ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -51.09 -26.26 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.2 t -96.14 -42.66 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.874 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.3 mt -66.84 -10.45 48.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 77' ' ' VAL . 8.1 t -105.72 5.19 30.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 t -129.44 -147.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 14.4 m 52.97 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.9 m -117.03 -5.33 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 96.55 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -82.97 108.92 16.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -98.25 86.97 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.801 ' HG3' HG13 ' A' ' 63' ' ' VAL . 19.0 mtm -89.4 134.21 34.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.52 117.36 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.41 155.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -111.56 117.66 33.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.1 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 3.6 mm -75.37 140.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' MET . 10.9 m170 -101.28 158.29 16.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -115.33 138.06 51.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.95 148.2 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.616 ' CG ' ' CE1' ' A' ' 87' ' ' HIS . 7.0 mtm180 -128.43 111.04 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.59 138.59 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.0 3.54 60.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 3.7 p90 -136.63 -178.12 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 128.75 40.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.87 148.01 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -121.14 175.0 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.7 mm -86.68 143.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 95.5 m-85 -127.07 138.32 53.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 t -81.56 126.42 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -54.48 3.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -132.1 169.11 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 54' ' ' LEU . 55.5 t -144.92 108.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.79 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.36 164.61 24.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.02 26.49 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.13 -178.35 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.4 m -77.41 -22.34 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -72.24 -69.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -31.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.79 -36.01 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 48' ' ' SER . . . -64.58 -20.58 66.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.64 -8.91 14.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 88' ' ' MET . 15.6 tp -70.92 129.43 39.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.34 -172.57 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 42' ' ' LYS . 6.5 t -84.22 146.77 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.44 -26.09 15.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -51.15 149.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 12.5 tttt -128.23 101.03 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 88' ' ' MET . 5.7 mt -67.48 111.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 91' ' ' ARG . 33.6 p -90.47 -23.06 21.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.2 tt0 -159.78 157.72 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.971 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.09 142.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.31 23.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.72 -38.24 3.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 124.8 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' HD23 ' A' ' 68' ' ' LEU . 29.2 t -78.36 140.66 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.971 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.4 mt -110.61 19.79 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.25 4.2 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -174.98 47.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.7 152.93 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 75' ' ' SER . 8.4 t -69.11 141.57 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.4 ttt -48.99 -51.44 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.53 -69.65 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.2 t -40.26 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.76 -42.41 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 81' ' ' THR . 96.4 t -70.33 -57.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.21 -31.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 75' ' ' SER . 23.1 t -84.41 -45.22 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.585 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 16.2 mt -61.32 -16.76 49.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.4 t -109.7 5.57 22.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.0 t -129.34 84.17 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 158.78 160.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -111.87 0.08 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.88 91.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.11 146.18 28.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -127.63 89.37 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -91.85 151.53 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -125.23 111.97 15.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.86 154.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.563 ' CZ ' HG21 ' A' ' 61' ' ' THR . 0.1 OUTLIER -110.16 156.05 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.92 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.72 ' O ' ' HE3' ' A' ' 89' ' ' MET . 10.2 m170 -110.83 154.73 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -119.0 135.56 54.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -145.88 149.47 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.34 105.09 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 49' ' ' ALA . 82.0 t -93.43 121.47 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.39 -8.96 40.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -128.29 157.2 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.47 131.58 55.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 38' ' ' ILE . 17.3 m -110.61 148.44 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -127.12 169.25 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' CE ' ' A' ' 73' ' ' MET . 12.0 mm -119.29 141.51 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 75.1 m-85 -122.97 139.73 53.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 t -78.71 123.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -55.22 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -137.9 167.84 20.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -145.58 109.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 131.44 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.42 160.29 31.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.95 30.8 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -101.0 179.63 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -74.29 -34.01 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -66.29 -62.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -30.58 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -34.09 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.83 -20.98 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.3 -13.35 9.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.7 tp -65.96 131.0 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.46 -177.21 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 42' ' ' LYS . 10.7 t -87.01 147.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.14 -28.7 10.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.2 m-20 -55.93 154.5 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 19.6 tttt -129.14 108.56 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 119.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.1 p -101.16 -21.87 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 25.2 tt0 -164.55 157.43 17.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.929 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.1 p -158.97 139.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.59 19.52 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.46 -40.73 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 120.66 11.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 135.08 38.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 63' ' ' VAL . 5.3 mt -111.82 46.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.68 -6.13 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 p -151.41 27.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.456 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -112.9 164.31 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -91.23 159.57 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.706 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.79 -56.48 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.43 -69.76 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -40.08 -60.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -48.12 -48.18 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 73' ' ' MET . 74.9 t -60.76 -43.27 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 81' ' ' THR . 4.0 mttt -51.46 -22.03 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.917 ' O ' HD21 ' A' ' 86' ' ' LEU . 43.9 t -97.02 -25.58 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.875 ' O ' HD21 ' A' ' 24' ' ' LEU . 16.1 mt -86.26 -12.44 49.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 77' ' ' VAL . 1.1 p -49.46 -52.68 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t 166.94 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -141.25 22.67 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER 86.61 -43.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.961 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -162.16 101.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.917 HD21 ' O ' ' A' ' 79' ' ' VAL . 16.1 mt -83.89 135.81 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.13 89.93 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.6 mtm -90.86 144.72 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.72 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 41.5 mmm -124.84 116.06 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.6 m -102.41 156.03 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -110.66 106.97 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 11' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.0 mm -101.34 145.86 10.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.491 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.5 m170 -108.1 128.64 54.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.453 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -97.83 129.59 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -146.4 148.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -127.42 102.67 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.09 126.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.34 -13.16 35.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 54' ' ' LEU . 10.7 p90 -124.39 156.01 37.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.69 129.45 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' CE ' ' A' ' 73' ' ' MET . 30.2 m -112.58 144.07 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.36 161.8 18.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 24.2 mm -110.11 111.53 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 16.4 m-85 -105.26 139.66 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.51 139.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.553 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -118.96 -37.2 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.21 160.12 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.823 HG21 ' HA ' ' A' ' 55' ' ' CYS . 79.6 t -140.82 111.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.98 135.29 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.03 156.7 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.88 25.69 7.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 169.53 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.797 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -67.01 -35.91 80.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -53.31 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -46.27 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -66.25 -39.42 89.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.62 -25.46 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.62 -7.89 17.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 26' ' ' PHE . 29.2 tp -73.03 127.48 32.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.823 ' HA ' HG21 ' A' ' 43' ' ' VAL . 33.1 m -148.66 157.52 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -61.44 152.05 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 -4.8 56.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.99 161.18 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 8.6 tttt -128.78 110.46 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -71.72 111.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -92.5 -19.17 22.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 63' ' ' VAL . 29.4 tt0 -160.38 158.18 29.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.849 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -156.74 134.89 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.82 21.86 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.56 -41.34 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 119.81 8.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.452 ' C ' HD23 ' A' ' 68' ' ' LEU . 46.0 t -77.13 134.24 38.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.849 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.7 mt -114.48 36.81 3.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.66 4.27 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.49 40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.87 156.01 42.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.2 p -65.32 -172.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.0 ttm -91.73 -61.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -42.05 -64.8 1.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -38.87 -52.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 68' ' ' LEU . . . -59.64 -54.68 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 81' ' ' THR . 85.8 t -51.34 -44.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.29 -28.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.659 ' O ' HD21 ' A' ' 86' ' ' LEU . 71.0 t -96.44 -36.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.868 ' O ' HD21 ' A' ' 24' ' ' LEU . 5.5 mt -67.72 -15.83 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 77' ' ' VAL . 1.8 t -97.95 4.02 49.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -137.71 -148.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 82' ' ' SER . 75.5 m 59.3 120.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -61.15 -14.24 23.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -162.67 106.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.659 HD21 ' O ' ' A' ' 79' ' ' VAL . 14.0 mt -83.83 143.12 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -123.35 88.94 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.599 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 63' ' ' VAL . 22.0 mtm -89.82 146.95 24.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' MET . . . . . 0.487 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.2 mmt -130.63 112.67 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 12' ' ' HIS . 34.8 m -102.43 157.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -112.1 120.73 42.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -109.33 119.17 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -99.05 147.88 24.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.89 167.43 25.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.73 132.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 0.812 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m 60.79 160.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.63 -166.98 4.41 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -168.4 162.83 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.91 134.38 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.99 157.53 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.82 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.647 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.0 m170 -104.62 141.6 36.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.15 129.52 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.32 149.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -130.68 105.13 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 88' ' ' MET . 53.6 t -96.55 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.31 164.8 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 171.29 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.31 160.27 62.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.06 145.52 32.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.47 136.01 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -38.81 156.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -41.05 157.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.39 -19.45 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' HB3' HD23 ' A' ' 54' ' ' LEU . 13.3 p90 -122.45 154.9 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 125.89 51.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 73' ' ' MET . 5.9 m -107.88 153.82 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -128.74 150.94 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.22 174.02 48.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.6 -135.69 2.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.2 t -94.76 105.77 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -174.8 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.48 -50.36 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.96 65.19 0.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 1.2 pp -128.12 -45.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' HD13 ' A' ' 38' ' ' ILE . . . 120.48 -132.61 9.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.458 HG23 ' HB ' ' A' ' 28' ' ' VAL . 36.4 mm -123.59 121.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 15.7 m-85 -120.25 142.23 49.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 54' ' ' LEU . 7.0 t -79.46 141.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -119.94 -51.57 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.13 163.85 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.02 108.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -39.04 152.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.81 147.66 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.55 34.72 5.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.31 178.4 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -29.3 61.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.66 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -33.77 44.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.93 -35.57 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.77 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -6.72 18.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 26' ' ' PHE . 21.8 tp -73.76 129.89 38.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.82 -178.65 5.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 9.5 t -81.15 139.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.8 40.36 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -145.14 155.49 43.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 2.2 tttt -128.45 120.32 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.37 114.62 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.1 p -92.69 -31.15 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -152.61 155.88 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.808 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.2 p -156.19 144.1 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.43 ' OD1' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 47.49 24.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.83 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 124.01 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.482 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -79.66 131.87 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.3 mt -115.65 43.14 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -90.6 -13.87 33.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.29 42.51 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.05 160.14 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 t -80.13 157.48 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.658 ' CE ' HG23 ' A' ' 28' ' ' VAL . 20.1 tpp -59.25 -56.65 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.59 -69.95 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -40.44 -52.9 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.54 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 69.9 t -49.03 -55.5 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.8 tttt -44.43 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.528 ' O ' HD21 ' A' ' 86' ' ' LEU . 38.3 t -52.23 -40.06 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.777 ' O ' HD21 ' A' ' 24' ' ' LEU . 9.2 mt -60.76 -30.24 69.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -106.06 5.86 30.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -119.3 84.47 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.038 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.8 t 160.41 156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -104.59 -5.03 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.23 90.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.727 HD11 ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -84.46 143.67 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.35 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.561 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.493 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 11' ' ' ILE . 27.8 mmm -127.32 120.33 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.98 159.94 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -112.46 114.86 27.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.69 144.2 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 -10.16 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.11 -173.51 14.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.12 167.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.64 96.3 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -133.74 157.98 44.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.83 156.56 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -43.38 140.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.8 172.66 7.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.75 -112.05 3.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -128.59 98.26 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -166.61 156.37 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.85 125.81 8.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.81 161.7 27.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.72 108.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.598 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -67.22 158.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -95.04 150.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.3 m170 -113.39 137.62 51.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.89 128.71 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.75 149.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.36 102.92 6.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CE ' ' A' ' 88' ' ' MET . 68.3 t -95.55 130.26 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -94.17 147.18 23.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -79.01 160.32 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p -151.25 147.78 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.76 5.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 -61.69 0.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.77 -66.82 0.46 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -83.95 121.34 27.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.883 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -44.02 157.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.16 -16.22 18.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.705 ' HB3' HD23 ' A' ' 54' ' ' LEU . 12.2 p90 -123.69 155.79 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 131.88 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 38' ' ' ILE . 15.9 m -108.69 155.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -126.86 157.46 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.59 -91.87 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.09 -178.8 39.12 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.83 174.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.31 158.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 57.95 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.21 73.59 0.71 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 37' ' ' GLY . 4.4 pp -112.71 -45.72 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.599 ' N ' HD12 ' A' ' 36' ' ' LEU . . . 111.9 -135.41 12.75 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 20.2 mm -123.79 129.74 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m-85 -127.43 141.28 51.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 t -79.5 142.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.7 -49.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.1 tmtt? -133.14 166.1 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.33 111.76 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.42 144.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.8 145.47 50.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.87 40.57 5.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.08 162.46 13.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' ALA . 19.1 p -57.72 -32.58 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -61.01 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -36.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.04 -35.45 31.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.5 -21.61 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.69 -7.61 19.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.705 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.3 tp -70.93 128.16 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.35 -173.8 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 41' ' ' SER . 4.0 t -87.4 138.87 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.2 34.38 5.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.498 ' HB3' HG11 ' A' ' 90' ' ' VAL . 25.7 m-20 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 11.4 tttt -126.57 111.03 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.54 111.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -90.0 -24.61 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -157.56 155.5 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.694 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.6 p -157.93 140.62 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.82 18.66 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.73 -35.91 3.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 123.88 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.549 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.32 132.59 38.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.0 mt -113.22 31.71 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -76.77 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -151.95 30.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -105.85 160.0 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.0 p -78.9 -165.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 24.7 ttm -98.31 -51.73 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.24 -61.26 4.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -56.32 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.64 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 73' ' ' MET . 40.8 t -48.51 -57.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -42.36 -69.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD21 ' A' ' 86' ' ' LEU . 26.4 t -52.44 -38.67 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.883 ' O ' HD21 ' A' ' 24' ' ' LEU . 7.8 mt -62.62 -26.79 68.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 78' ' ' LYS . 9.4 t -110.04 5.88 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . 3.8 m -123.32 77.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t 176.23 154.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -12.49 19.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -156.06 91.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 80' ' ' LEU . 6.7 mt -83.87 144.87 28.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -126.58 89.72 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.566 ' CE ' HG21 ' A' ' 16' ' ' VAL . 30.9 mtm -91.28 142.03 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.619 ' HB3' HG23 ' A' ' 11' ' ' ILE . 30.6 mmm -128.91 120.71 26.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 12' ' ' HIS . 28.8 m -103.05 166.35 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.1 101.65 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -107.38 144.35 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.7 mmm -66.42 162.9 19.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.4 -91.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.5 t -64.24 -61.06 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.79 109.36 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.61 9.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.54 98.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.4 p -73.91 151.43 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.9 103.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.75 -60.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.04 119.94 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -114.73 73.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -129.9 -54.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 119.84 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 p -137.38 150.81 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 4.3 m-20 -58.93 112.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.582 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -68.43 157.97 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.2 mm -95.79 140.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' HE2' ' A' ' 89' ' ' MET . 16.0 m-70 -112.31 146.89 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.38 133.71 51.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.6 p -144.91 150.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 10.9 mtm180 -131.42 102.4 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -98.8 138.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.52 153.31 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.46 154.75 34.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -147.28 150.85 39.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 60.61 5.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.39 -56.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.67 -82.34 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 141.77 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.919 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -45.77 156.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -11.99 35.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.709 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 5.2 p90 -127.36 159.42 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 124.34 50.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.77 147.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -114.18 161.92 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.81 138.77 0.79 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.35 69.54 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p 176.49 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.22 -70.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -56.58 15.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.13 67.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.49 179.23 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.44 -157.65 22.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.651 HD12 ' SD ' ' A' ' 73' ' ' MET . 26.2 mm -79.61 154.55 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 19.5 m-85 -136.25 150.38 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.28 131.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.3 t -107.48 -52.65 2.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 167.52 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 50' ' ' GLU . 56.0 t -144.53 109.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.69 128.75 21.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.24 163.5 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.5 27.58 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.23 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.9 p -77.75 -25.01 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -68.51 -68.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.551 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -45.02 -27.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -88.45 -35.7 16.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -64.11 -21.64 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.47 -10.17 11.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 26' ' ' PHE . 13.4 tp -71.95 129.91 39.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.46 -172.42 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 108.285 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' SER . 20.0 t -82.65 142.12 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.64 37.06 7.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -120.83 153.97 36.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 8.9 tttt -128.81 107.66 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.9 mt -73.1 116.31 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.1 p -100.54 -31.28 11.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 21.7 tt0 -143.78 153.52 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.726 HG22 ' CG ' ' A' ' 88' ' ' MET . 94.8 t -151.72 123.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 64.23 19.27 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 -34.82 5.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.93 130.69 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.468 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.66 131.66 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 67' ' ' SER . 4.9 mt -114.16 45.14 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.21 1.2 37.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 p -179.09 67.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -141.43 153.6 45.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 75' ' ' SER . 1.8 t -59.9 139.93 57.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.5 tpp -53.42 -57.36 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.09 -65.32 0.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.531 ' HB2' HG23 ' A' ' 72' ' ' THR . 2.1 m -39.85 -63.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.88 -49.8 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 79' ' ' VAL . 75.0 t -61.72 -56.78 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -39.93 -29.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -90.2 -45.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.919 ' C ' HD21 ' A' ' 24' ' ' LEU . 4.5 mt -58.58 -16.46 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.478 ' N ' HD21 ' A' ' 24' ' ' LEU . 9.8 t -107.94 5.53 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 1.2 t -129.69 85.67 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.7 t 159.62 138.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t -89.64 -2.61 58.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -162.69 88.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 80' ' ' LEU . 6.4 mt -84.47 145.02 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.62 89.61 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.726 ' CG ' HG22 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -100.63 148.86 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -129.39 119.54 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.6 m -102.44 153.54 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 9' ' ' ASP . 69.5 mtt-85 -111.53 111.48 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.17 131.57 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 mmm -71.33 173.91 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.03 110.36 0.5 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.31 169.47 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.48 156.37 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.67 22.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -128.92 -58.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.6 t 59.62 114.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -161.69 142.13 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 73.57 -58.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.6 105.94 0.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -141.87 160.34 40.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.76 157.2 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.34 164.29 36.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m 61.94 169.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.79 155.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.77 156.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.596 HD11 ' NH1' ' A' ' 91' ' ' ARG . 2.8 mm -92.64 152.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.496 ' HB2' HG22 ' A' ' 90' ' ' VAL . 13.5 m-70 -118.36 136.26 53.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.632 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.445 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -99.72 128.98 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.8 p -145.9 150.54 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.555 HH21 ' NE ' ' A' ' 85' ' ' ARG . 23.1 mtp180 -133.79 105.76 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG21 ' CE ' ' A' ' 88' ' ' MET . 70.7 t -98.93 124.68 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.3 151.68 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.52 131.96 35.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m -120.59 136.97 25.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.92 -60.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.01 132.66 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 61.57 145.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.256 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -51.06 157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.89 45.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.3 p90 -128.66 155.29 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.69 126.14 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' CE ' ' A' ' 73' ' ' MET . 15.9 m -108.68 149.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -117.29 156.85 27.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.0 -154.96 17.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.81 -67.96 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 t -97.24 -75.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -47.63 112.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 60.55 107.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.16 -89.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.4 mt 50.9 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.87 -160.81 31.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 73' ' ' MET . 33.8 mm -95.43 128.29 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 44.7 m-85 -119.89 141.64 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 54' ' ' LEU . 18.2 t -80.79 146.53 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -47.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 38.8 tptt -139.4 156.88 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 43.0 t -138.06 107.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.35 145.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.21 147.88 36.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 28.0 10.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.91 179.61 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.4 m -75.88 -30.86 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.08 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -27.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -87.1 -36.43 18.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.78 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.31 -3.24 18.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 40' ' ' VAL . 26.7 tp -73.61 132.17 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.01 -178.9 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.7 t -88.08 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.52 -4.92 62.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.08 159.19 34.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 35.2 tttt -128.35 103.27 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.1 mt -72.85 120.2 21.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.0 p -103.56 -17.76 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.3 tt0 -160.68 158.77 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.848 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.73 136.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 53.17 21.7 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.59 -43.49 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 122.41 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.87 135.07 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 ' CG1' ' A' ' 63' ' ' VAL . 13.4 mt -107.77 37.62 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.06 -0.9 57.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.69 34.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.25 155.11 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -67.99 -164.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.542 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.8 ttm -94.77 -51.68 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.96 -64.74 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -38.43 -61.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.044 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -44.08 -47.66 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' LEU . 65.8 t -66.31 -60.78 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -35.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' SER . 58.1 t -79.65 -45.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 86' ' ' LEU . 1.6 mt -59.93 -31.09 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -87.19 5.27 38.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' SER . 8.2 t -134.06 90.92 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER 159.28 142.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -97.25 33.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.555 ' NE ' HH21 ' A' ' 15' ' ' ARG . 6.1 mtp180 169.4 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 80' ' ' LEU . 1.1 mp -93.51 131.24 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.463 ' NE2' ' SD ' ' A' ' 89' ' ' MET . 3.4 t-80 -119.34 89.77 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.612 ' CE ' HG21 ' A' ' 16' ' ' VAL . 6.2 mtm -89.99 147.61 23.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.463 ' SD ' ' NE2' ' A' ' 87' ' ' HIS . 1.4 mmt -131.46 115.28 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.6 m -102.76 158.09 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.596 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -114.23 100.97 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -102.58 139.76 37.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 ptp -86.23 172.14 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.41 -90.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.5 168.09 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.9 76.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.22 -60.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 92.6 p 47.69 84.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -110.4 148.09 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m 62.72 135.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.57 -125.15 3.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m 63.52 147.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -78.01 147.39 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.32 -148.13 21.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 63.03 82.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.6 95.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.451 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.8 mp -67.81 159.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -97.88 141.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.4 m-70 -99.98 140.75 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.6 127.46 53.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.0 p -145.74 147.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 4.7 mtm180 -130.02 103.4 6.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.23 118.9 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.11 164.34 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -82.18 153.19 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 24.7 m -153.53 135.16 8.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.96 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.81 -58.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.77 -64.43 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.38 131.08 46.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -41.03 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.43 -15.29 23.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 11.7 p90 -124.61 158.58 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 128.69 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' HE3' ' A' ' 73' ' ' MET . 7.0 m -107.85 156.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -126.6 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.49 -149.46 28.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.05 -154.44 24.94 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.84 179.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 60.38 170.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 m80 70.2 -61.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . . . 110.76 58.72 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -141.29 167.76 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.37 -168.94 40.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 ' SD ' ' A' ' 73' ' ' MET . 50.2 mm -89.75 128.61 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -119.97 161.08 21.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 t -93.44 147.93 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -48.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 21.4 tptm -140.25 153.3 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 42.9 t -134.83 105.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 125.65 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.07 159.08 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.95 36.64 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 p -108.73 -178.02 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 4.7 m -71.15 -36.13 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.2 -72.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -32.99 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -77.67 -39.64 44.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.18 -23.53 67.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.88 -2.28 17.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.0 tp -70.79 128.37 35.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.2 p -119.7 179.99 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.06 138.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.13 14.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.9 m-20 -103.5 164.8 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -130.0 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG2' HG23 ' A' ' 63' ' ' VAL . 8.6 mt -75.73 118.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -100.93 -23.56 14.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 20.0 tt0 -157.72 156.86 32.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.747 HG13 ' HG3' ' A' ' 88' ' ' MET . 82.5 t -153.53 126.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.48 24.95 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.25 -47.28 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 124.82 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -83.39 122.95 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 71' ' ' THR . 12.2 mt -102.71 43.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.28 -12.59 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -167.72 55.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -129.06 151.61 49.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.436 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 75' ' ' SER . 2.2 t -67.47 136.5 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.673 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.4 tpp -44.22 -49.37 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.07 -70.21 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m -40.11 -60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.75 -45.27 14.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 73' ' ' MET . 99.1 t -65.84 -57.44 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -44.0 -39.88 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 75' ' ' SER . 46.3 t -79.89 -45.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 86' ' ' LEU . 5.8 mt -60.15 -19.33 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 77' ' ' VAL . 12.0 t -109.3 5.29 23.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -130.08 81.79 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.02 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.451 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . 34.3 m -94.8 7.02 47.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -166.73 97.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 80' ' ' LEU . 1.3 mp -88.15 123.64 33.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -110.41 87.98 2.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.747 ' HG3' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.17 142.89 28.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 31.7 mmm -133.45 122.27 23.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.5 m -101.71 159.06 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -107.88 101.91 11.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.34 145.29 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.37 177.31 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.99 -152.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.429 1.08 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 129.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.55 157.16 19.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.113 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.8 21.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 m -48.74 141.53 7.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 m 60.87 167.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 p -81.6 170.23 16.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -138.47 -57.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.43 -158.95 13.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.32 -57.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.76 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -172.31 168.96 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 169.5 18.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.71 71.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -178.77 90.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.4 mp -85.85 155.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.85 144.14 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m-70 -109.36 134.1 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.5 OUTLIER -98.72 126.98 44.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.1 p -145.17 147.89 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 5.2 mtt180 -131.65 103.82 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -92.03 139.84 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 167.67 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -72.44 120.56 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -89.93 153.36 47.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.8 104.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.17 42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.88 165.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -62.78 153.59 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.57 -14.22 34.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 80' ' ' LEU . 11.4 p90 -123.21 155.32 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.74 126.9 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 73' ' ' MET . 11.8 m -108.72 157.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -124.44 163.75 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.54 -154.89 17.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.87 -89.5 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.5 m -125.85 -54.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -46.67 158.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 70.15 -60.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' GLU . . . 95.91 96.69 1.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.06 156.5 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.02 -158.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 73' ' ' MET . 30.3 mm -95.6 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 13.3 m-85 -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.44 147.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -126.31 -50.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.77 157.34 47.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.96 102.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.56 128.5 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.26 165.81 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.56 34.02 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -104.18 -178.08 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.039 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.6 p -75.74 -35.27 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -63.18 -64.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -36.07 58.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.37 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.86 -13.79 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.9 tp -67.67 128.52 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -174.07 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -89.85 140.75 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.27 23.7 8.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.02 159.65 35.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.28 124.53 32.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.23 111.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.579 HG22 ' CD ' ' A' ' 59' ' ' LYS . 43.8 p -94.13 -19.23 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -156.94 153.64 28.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.903 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -160.65 134.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.4 t30 65.13 11.82 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.9 -31.93 7.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 66' ' ' LEU . 2.9 mt -74.14 136.75 42.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.07 141.95 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 63' ' ' VAL . 12.8 mt -118.21 36.68 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -86.68 -10.29 54.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 p -151.69 38.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.64 152.87 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 t -64.78 -171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.461 ' CE ' HG23 ' A' ' 28' ' ' VAL . 6.6 ttm -90.52 -61.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.02 -66.23 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.9 t -39.79 -54.12 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.4 61.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' LEU . 92.6 t -56.27 -52.79 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.0 -43.37 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 75' ' ' SER . 62.1 t -70.91 -38.59 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 67.7 mt -69.03 -17.92 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.7 p -100.6 4.86 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -137.04 92.34 2.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.57 131.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -88.03 6.22 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.2 91.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD13 HD23 ' A' ' 80' ' ' LEU . 16.9 mt -87.08 142.52 27.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -123.15 89.73 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.41 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 17.0 mtm -90.6 147.61 23.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -130.13 115.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.622 HG22 ' HB2' ' A' ' 12' ' ' HIS . 32.2 m -102.43 158.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -117.21 103.66 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -116.55 139.29 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 ptp -106.51 171.33 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.22 72.56 2.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.32 169.05 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.05 -168.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -172.84 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.2 m -123.37 162.67 22.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -66.0 168.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -164.55 156.07 15.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.82 -179.21 27.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -110.83 -57.88 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.45 146.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 166.61 14.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.2 p -95.34 -54.03 3.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.67 137.0 20.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.24 159.4 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.0 mm -87.28 148.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.6 m170 -105.1 142.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.6 125.92 53.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.7 p -145.28 146.04 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -124.43 103.59 8.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 88' ' ' MET . 64.7 t -99.13 157.45 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -117.34 154.38 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.4 172.05 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.99 132.47 11.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo -75.07 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.8 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' PRO . . . 178.35 -60.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.61 53.33 0.17 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.15 97.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.622 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.1 mm? -44.82 154.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -12.11 40.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.9 p90 -124.82 155.1 39.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 129.41 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.1 154.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -122.88 153.35 39.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.36 -147.5 17.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.12 64.66 3.17 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.15 87.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.012 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 74.71 -63.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -46.32 -65.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' LEU . . . 121.58 -85.04 0.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 37' ' ' GLY . 3.9 pp 42.8 -167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -95.29 -134.21 7.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 37' ' ' GLY . 28.3 mm -131.37 116.97 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 32.6 m-85 -112.22 137.59 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t -74.84 147.19 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.43 -49.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.3 tptt -139.86 153.57 47.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.732 HG12 ' HG3' ' A' ' 50' ' ' GLU . 63.5 t -133.31 106.87 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 140.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' SER . 5.5 mm-40 -78.48 170.25 16.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.81 30.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.5 p -104.33 177.78 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.6 t -76.16 -29.88 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.57 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.732 ' HG3' HG12 ' A' ' 43' ' ' VAL . 2.0 mt-10 -43.86 -33.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -35.46 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.94 -19.68 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -11.23 16.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.597 ' O ' HG11 ' A' ' 43' ' ' VAL . 15.6 tp -72.37 130.61 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.542 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -151.92 179.01 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.269 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 76.7 t -72.19 142.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.1 39.75 4.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' HG11 ' A' ' 90' ' ' VAL . 31.0 m-20 -139.18 152.6 47.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 49.8 tttt -129.17 104.99 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' ' 90' ' ' VAL . 7.9 mt -66.92 113.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.4 p -91.98 -31.71 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -153.65 155.36 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.822 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.4 p -156.52 142.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 t30 52.07 21.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.24 3.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 124.85 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.545 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.29 127.2 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.822 HD11 ' CG1' ' A' ' 63' ' ' VAL . 4.8 mt -109.67 48.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.09 11.38 30.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m 170.44 48.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -119.64 162.01 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 p -77.85 141.64 39.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.471 ' O ' HG23 ' A' ' 77' ' ' VAL . 16.2 ttm -46.47 -60.86 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.84 -66.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 m -39.37 -63.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.01 -53.85 9.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.671 ' O ' HG22 ' A' ' 81' ' ' THR . 97.7 t -55.49 -50.19 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -30.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -44.02 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.622 ' C ' HD21 ' A' ' 24' ' ' LEU . 32.3 mt -61.84 -13.73 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.8 t -108.89 -8.08 15.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.2 t -122.27 89.42 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.4 m 159.45 129.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -91.12 22.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -85.04 140.69 30.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -121.57 89.69 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.477 ' CE ' HG21 ' A' ' 16' ' ' VAL . 17.7 mtm -91.33 143.15 26.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.602 ' HB3' HG23 ' A' ' 11' ' ' ILE . 42.3 mmm -128.43 117.31 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.9 m -102.72 157.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -109.81 119.13 38.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 146.7 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.8 ptm -110.34 -9.81 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.96 98.03 2.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.108 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.02 146.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.15 119.23 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.14 41.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -153.09 139.16 18.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -128.78 123.17 32.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -107.51 147.43 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.92 -83.21 1.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.79 -57.42 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p 178.25 -63.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.05 83.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -63.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.1 99.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.5 mt -128.62 161.46 37.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.8 mm -92.46 151.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -108.51 137.67 46.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.58 129.1 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.5 p -145.61 149.32 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.0 104.88 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -96.66 117.58 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -81.69 156.03 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -72.19 121.99 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -105.93 155.69 37.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.51 5.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.54 169.82 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.72 -56.43 2.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -91.73 146.85 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.018 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -52.0 156.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.85 -15.71 21.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.9 p90 -126.05 154.55 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.06 132.84 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.436 HG23 ' CE ' ' A' ' 73' ' ' MET . 4.1 m -112.33 155.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.27 157.15 42.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.9 -141.14 17.58 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.03 97.54 2.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t 45.23 85.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -133.18 -48.9 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.71 21.77 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.43 45.86 5.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -122.27 178.54 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.51 -150.06 24.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 ' SD ' ' A' ' 73' ' ' MET . 20.7 mm -98.58 137.02 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 25.6 m-85 -122.03 158.38 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -93.7 147.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.57 -49.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.5 tptt -137.71 155.46 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.524 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.1 t -138.61 103.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.52 123.84 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.21 162.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.26 28.11 3.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 p -105.46 -178.64 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -72.79 -34.29 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.61 -70.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -30.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -80.82 -39.9 25.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.33 -22.04 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.74 -10.93 12.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 26' ' ' PHE . 14.4 tp -68.52 126.14 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.89 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 6.6 t -89.01 142.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.35 42.72 4.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 90' ' ' VAL . 7.7 m-20 -126.13 159.24 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.3 tttt -130.23 97.62 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.4 mt -69.71 114.34 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.5 p -94.23 -33.05 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 18.8 tt0 -146.49 154.64 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.852 HG13 ' HG3' ' A' ' 88' ' ' MET . 17.3 t -143.11 145.39 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.6 OUTLIER 38.32 32.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 89.26 -43.9 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.0 120.63 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.9 t -74.01 131.01 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 mt -108.69 31.5 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 2.4 mt-10 -86.21 100.51 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER 84.8 26.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -102.67 148.06 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.8 t -63.6 165.37 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.7 tpp -74.54 -54.79 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -69.91 0.44 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -41.04 -54.67 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.89 19.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' THR . 73.7 t -45.48 -51.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 81' ' ' THR . 0.3 OUTLIER -45.88 -71.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.76 -39.16 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.018 ' O ' HD21 ' A' ' 24' ' ' LEU . 10.0 mt -61.88 -26.25 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 78' ' ' LYS . 12.3 t -110.79 6.21 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 7.2 t -126.71 94.69 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 159.8 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.29 -5.2 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -156.06 87.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.686 HD23 HD23 ' A' ' 80' ' ' LEU . 5.3 mp -83.75 127.13 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 88.05 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.633 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.852 ' HG3' HG13 ' A' ' 63' ' ' VAL . 32.8 mtm -90.49 134.37 34.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.583 ' HB3' HG23 ' A' ' 11' ' ' ILE . 23.5 mmm -122.4 119.6 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 12' ' ' HIS . 30.8 m -102.54 157.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -111.75 108.63 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -105.76 139.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.07 131.55 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.05 168.62 6.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.3 t -169.53 147.7 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.61 -87.04 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.13 42.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 177.26 118.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -131.31 145.19 51.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -106.19 152.51 23.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.37 -58.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 -162.45 14.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -144.69 -57.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.01 156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 94.93 0.16 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.99 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.18 118.29 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -132.54 160.71 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -95.2 142.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 90' ' ' VAL . 8.2 m170 -101.21 126.32 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.444 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.6 128.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.59 150.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -134.91 109.44 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.59 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 96.3 t -99.41 144.09 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.07 167.71 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 125.74 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 p -86.22 145.63 40.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -43.45 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.84 -59.79 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 -84.27 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.31 136.8 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.2 mm? -47.55 152.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.22 -10.46 41.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.7 p90 -125.06 154.93 40.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.79 118.21 35.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 38' ' ' ILE . 33.6 m -108.05 143.71 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -114.26 157.56 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.06 -168.55 13.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.05 -118.61 0.53 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -138.0 85.89 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -165.25 146.09 7.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.37 -60.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.54 61.39 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.5 pp -129.2 141.17 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 0.728 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.48 -137.99 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 28' ' ' VAL . 11.4 mm -114.42 130.59 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 6.5 m-85 -119.29 139.9 51.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.73 140.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.95 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -134.12 159.01 42.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.82 110.14 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 131.65 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.65 164.84 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 40.76 29.86 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.85 -178.76 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.9 m -74.63 -34.87 62.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.3 -65.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -86.79 -35.44 19.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.39 -21.86 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.41 -7.22 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.1 tp -72.53 129.27 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -171.96 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.1 t -84.99 143.68 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.46 7.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' HG11 ' A' ' 90' ' ' VAL . 22.7 m-20 -124.65 146.57 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 33.4 tttt -122.17 108.68 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.63 119.86 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.5 p -102.0 -18.63 15.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 28.5 tt0 -159.27 158.18 32.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.841 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.09 137.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.425 ' OD1' HD23 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 50.15 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.11 -43.59 2.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 124.54 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.74 140.62 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.841 HD11 ' CG1' ' A' ' 63' ' ' VAL . 9.3 mt -113.75 32.79 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.43 8.24 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 t -178.69 46.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.45 155.91 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -78.22 148.35 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.482 ' CE ' HG23 ' A' ' 28' ' ' VAL . 18.8 tpp -46.89 -54.82 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.29 -69.64 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.24 -58.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.22 -44.5 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.688 ' O ' HG22 ' A' ' 81' ' ' THR . 77.9 t -68.29 -51.62 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.28 -27.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -91.96 -46.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 86' ' ' LEU . 63.7 mt -62.22 -13.4 27.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 77' ' ' VAL . 9.2 t -109.31 5.32 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 31.1 t -139.67 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.5 m 159.88 129.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 m -81.32 -3.17 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' CG ' ' O ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -162.46 96.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD13 HD23 ' A' ' 80' ' ' LEU . 23.5 mt -84.47 146.53 27.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -126.03 89.03 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.59 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 19.2 mtm -91.07 146.72 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -130.23 116.04 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.78 156.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -110.83 110.34 20.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 120.75 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptm -116.19 -20.68 9.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.07 177.99 27.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 t 61.82 135.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.63 98.69 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.98 34.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.2 p -176.49 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.6 p -81.03 1.48 31.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -132.57 169.81 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -134.02 143.61 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.89 -149.4 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -49.81 165.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.54 -61.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.959 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.64 -165.91 15.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.41 114.68 19.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -170.71 121.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mt -139.2 159.35 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -88.97 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.531 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -99.48 137.35 38.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.1 131.65 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 88' ' ' MET . 2.9 p -145.59 148.15 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 69.6 mtt180 -129.33 111.44 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 49' ' ' ALA . 94.4 t -108.46 149.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.64 166.36 12.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.4 139.78 30.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.88 148.83 40.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 64.04 102.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.53 -80.8 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -178.4 144.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -47.18 160.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.77 -8.1 45.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CD2' HD21 ' A' ' 54' ' ' LEU . 1.9 p90 -131.54 157.6 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.36 128.97 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG23 ' CE ' ' A' ' 73' ' ' MET . 10.2 m -110.28 151.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 30' ' ' GLY . 23.8 ptt85 -101.52 152.69 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' NH1' ' A' ' 29' ' ' ARG . . . -61.94 138.19 46.18 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.3 45.0 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' HIS . 32.5 p -101.34 -173.59 2.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 66.45 -74.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.534 ' HB3' HD21 ' A' ' 36' ' ' LEU . 72.0 m-70 -62.9 -79.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.63 ' C ' HD22 ' A' ' 36' ' ' LEU . . . 134.4 56.77 0.07 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -125.27 -169.55 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.73 -105.67 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.19 147.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 59' ' ' LYS . 18.1 m-85 -138.03 150.43 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 t -88.37 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.98 -42.81 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 13.5 tptm -139.29 154.23 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 54' ' ' LEU . 42.3 t -137.3 103.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.63 130.11 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.32 164.23 24.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.58 31.05 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -73.69 -35.27 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.93 -66.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -31.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -85.29 -35.35 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.94 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.05 -10.94 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.603 HD21 ' CD2' ' A' ' 26' ' ' PHE . 12.9 tp -73.82 126.2 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -175.05 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.9 t -79.83 140.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 34.11 6.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.602 ' HB3' HG11 ' A' ' 90' ' ' VAL . 6.0 m-20 -116.98 156.43 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 9.7 ttpt -129.54 97.76 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.14 114.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.4 p -97.96 -32.45 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 19.0 tt0 -146.84 154.72 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.873 HG13 ' HG3' ' A' ' 88' ' ' MET . 23.1 t -144.79 147.06 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.09 30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 89.64 -42.87 2.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -54.61 119.48 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.652 ' C ' HD23 ' A' ' 68' ' ' LEU . 9.8 t -72.27 127.5 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 67' ' ' SER . 9.0 mt -116.24 32.09 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 p -132.65 46.8 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -123.91 147.83 47.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -68.54 -172.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.451 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.9 ttm -85.47 -57.92 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.92 -67.18 0.78 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -49.86 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.56 80.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 81' ' ' THR . 79.3 t -67.97 -51.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -46.82 -31.69 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.32 -45.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.915 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -61.55 -13.7 23.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 77' ' ' VAL . 13.8 t -109.59 5.34 22.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -131.2 83.2 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.31 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -92.79 25.64 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 179.8 93.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.915 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.5 mp -88.38 117.61 27.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 47.4 m170 -103.67 87.71 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.873 ' HG3' HG13 ' A' ' 63' ' ' VAL . 12.7 mtm -91.29 139.21 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.662 ' HB3' HG23 ' A' ' 11' ' ' ILE . 25.4 mmm -126.79 119.37 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 58' ' ' ASP . 31.4 m -102.52 155.64 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -110.2 122.79 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.65 148.67 42.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.1 mtp -119.03 93.36 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.83 167.83 39.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -72.88 156.8 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.28 96.54 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -140.82 127.94 20.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -66.48 130.91 44.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -140.33 139.2 35.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -51.8 117.95 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 160.56 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t -170.56 145.08 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -105.43 149.04 26.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.11 -168.13 40.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 61.92 154.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.53 158.03 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.3 mm -95.16 140.68 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 10.6 m-70 -108.76 129.94 55.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.443 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.66 128.35 41.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.63 148.63 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mtt180 -128.72 107.31 9.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -100.21 133.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.78 167.38 10.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -82.71 136.09 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -124.1 146.03 50.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 106.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.56 -60.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.88 -83.44 0.16 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 148.72 34.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' HE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -41.39 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.03 -8.9 45.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' A' ' 24' ' ' LEU . 3.3 p90 -129.43 155.67 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -106.12 126.08 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' CE ' ' A' ' 73' ' ' MET . 17.3 m -108.43 146.82 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -112.06 156.17 22.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.58 -149.18 16.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.29 -59.98 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 p -39.56 129.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.69 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -146.29 -56.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.82 -55.43 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 37' ' ' GLY . 4.1 pp -44.69 141.51 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -76.67 -137.3 0.78 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -102.04 133.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 22.0 m-85 -128.99 141.01 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.13 149.19 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 1.1 p -125.5 -42.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -151.07 168.66 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG21 ' HA ' ' A' ' 55' ' ' CYS . 58.4 t -143.58 109.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.54 137.33 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 152.29 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.54 42.69 10.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.3 p -108.49 173.06 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ALA . 62.8 m -69.34 -29.68 67.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.16 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -41.24 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.52 -39.67 58.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.09 -24.58 67.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.2 2.06 20.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 34.3 tp -82.35 127.72 33.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.76 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.753 ' HA ' HG21 ' A' ' 43' ' ' VAL . 80.1 m -150.15 150.21 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.258 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -54.25 152.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.35 -3.53 47.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' OD2' HG21 ' A' ' 90' ' ' VAL . 3.4 m-20 -105.11 160.86 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -128.87 111.2 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.84 113.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -96.93 -19.85 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -159.13 154.91 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.941 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.3 p -160.2 137.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.8 16.49 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.62 -25.52 20.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.8 mt -77.62 134.06 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -83.48 142.21 31.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG1' ' A' ' 63' ' ' VAL . 7.2 mt -121.52 31.87 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.68 -15.16 58.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.25 50.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 72' ' ' THR . 1.0 OUTLIER -132.4 158.91 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.441 ' O ' HG22 ' A' ' 71' ' ' THR . 1.1 t -76.08 169.05 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.42 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.591 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.1 ttm -71.8 -58.8 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -38.54 -69.55 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' GLY . 8.3 t -39.0 -60.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.33 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 81' ' ' THR . 94.5 t -56.66 -57.16 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -38.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -77.37 -44.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.924 ' O ' HD11 ' A' ' 86' ' ' LEU . 16.0 mt -58.56 -41.46 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' VAL . 5.9 t -81.06 5.35 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 9.4 t -127.96 85.45 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 160.46 142.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 6.2 t -97.29 12.27 33.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 84' ' ' SER . 0.0 OUTLIER -171.52 89.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.924 HD11 ' O ' ' A' ' 80' ' ' LEU . 9.1 mt -84.82 145.71 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -128.28 90.61 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm -89.68 149.06 22.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.1 mmt -129.46 112.61 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.7 m -102.31 158.57 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -118.73 109.22 15.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -120.23 152.52 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.51 99.08 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.28 108.42 0.76 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.6 m 62.84 127.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.87 -144.93 16.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.2 16.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.73 -58.5 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 t -128.56 92.61 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -156.49 120.13 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 170.79 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.12 156.87 7.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.96 105.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -112.53 142.83 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.66 108.94 3.41 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.4 -60.49 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 92' ' ' ARG . 6.7 m-20 -105.49 83.4 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.587 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.0 mp -78.99 157.81 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -97.12 145.41 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.588 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.8 m170 -102.39 136.83 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.97 130.64 53.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.4 p -145.78 149.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 103.89 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 ' HE1' ' A' ' 88' ' ' MET . 38.6 t -96.66 156.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.96 159.37 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -76.0 154.11 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -131.75 138.25 32.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -75.03 176.99 9.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . 79.1 -60.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.65 72.64 0.22 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.89 86.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? -41.95 152.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.15 -12.17 36.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -125.42 157.49 36.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.42 134.95 53.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.539 HG23 ' CE ' ' A' ' 73' ' ' MET . 13.5 m -114.18 153.18 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.08 158.23 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.34 -139.45 14.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.3 -124.89 2.31 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.46 109.05 10.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -169.01 -50.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -54.96 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.12 63.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.9 pp -145.22 143.12 30.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . -64.25 -142.21 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' A' ' 73' ' ' MET . 25.6 mm -109.74 137.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 12.2 m-85 -130.43 142.38 50.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 t -79.16 147.03 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.96 -49.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.3 tptp -134.97 150.77 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.0 t -136.23 103.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.86 128.23 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' SER . 7.5 pt-20 -67.04 168.7 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.61 31.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.7 p -104.96 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 94.7 p -72.98 -31.55 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -31.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -35.46 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.06 -21.45 66.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.65 -8.94 14.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' O ' HG11 ' A' ' 43' ' ' VAL . 16.0 tp -78.02 127.39 32.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 m -139.01 -176.05 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.2 t -80.0 136.01 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.49 35.03 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' HB3' HG11 ' A' ' 90' ' ' VAL . 29.7 m-20 -130.25 156.21 45.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.7 tttt -129.89 110.1 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.66 114.65 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.974 HG21 ' HG2' ' A' ' 91' ' ' ARG . 40.6 p -91.15 -23.58 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.1 tt0 -165.63 157.95 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.815 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -155.09 136.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.521 ' OD1' HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER 52.77 27.49 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -40.52 3.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 117.46 4.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -76.64 134.67 39.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.815 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.6 mt -112.86 27.08 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.84 1.54 34.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.674 HG21 HD22 ' A' ' 68' ' ' LEU . 1.3 t -129.99 162.59 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.11 143.33 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.6 ttm -46.21 -65.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -37.89 -64.9 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -38.44 -58.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -51.37 -56.57 12.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 81' ' ' THR . 83.9 t -52.16 -49.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -41.15 -31.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' O ' HD21 ' A' ' 86' ' ' LEU . 96.7 t -89.57 -40.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.93 ' O ' HD21 ' A' ' 24' ' ' LEU . 30.5 mt -67.3 -9.85 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.542 HG23 HG12 ' A' ' 77' ' ' VAL . 2.8 p -89.44 -22.17 22.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -115.79 -147.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 55.0 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -64.91 -10.1 26.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -150.65 95.22 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.521 HD23 ' OD1' ' A' ' 64' ' ' ASN . 23.3 mt -83.71 135.77 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.87 87.25 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 109.609 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.491 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -91.75 145.75 24.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.515 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.7 mmm -132.71 123.34 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.57 156.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.974 ' HG2' HG21 ' A' ' 61' ' ' THR . 12.2 mmt180 -91.95 162.26 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 23.9 tpt180 -140.45 149.19 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 2.3 mmt -84.15 179.84 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.57 -109.19 2.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 m -119.22 149.0 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.65 178.08 29.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 61.73 5.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.9 167.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.77 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.51 167.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.783 . . . . 0.0 110.018 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.63 132.93 55.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.32 -62.31 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 m 44.53 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.33 161.91 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.7 162.81 24.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.5 p -98.12 -20.59 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -126.0 161.32 27.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.49 156.11 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.1 mm -98.89 131.14 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -96.73 168.43 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.15 126.87 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.3 p -145.35 146.68 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 19.1 mtp180 -128.73 102.6 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 88' ' ' MET . 72.0 t -96.97 109.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.31 145.4 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -74.77 155.34 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p -162.23 134.59 4.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 75.47 3.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.16 -59.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.49 93.67 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.36 161.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -40.95 153.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.64 -9.4 51.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.735 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 9.6 p90 -125.82 152.37 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -106.68 124.08 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -108.6 151.01 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.01 160.94 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.46 -152.07 17.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.96 95.79 1.88 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.19 160.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.019 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.28 61.99 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.08 -66.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.32 72.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.7 pp -164.21 148.25 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.756 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.96 -149.26 3.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 73' ' ' MET . 16.5 mm -110.32 130.16 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 23.3 m-85 -121.17 139.4 53.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.96 143.0 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -120.21 -39.6 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 169.37 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 55' ' ' CYS . 69.1 t -146.77 125.1 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -47.6 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.45 136.15 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.65 45.45 1.45 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.0 p -109.0 -178.17 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 m -53.53 -46.42 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.14 -70.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -32.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -79.3 -39.26 33.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.01 -25.27 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.05 7.61 30.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.499 ' O ' HG11 ' A' ' 43' ' ' VAL . 22.9 tp -82.75 124.87 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.559 ' HA ' HG21 ' A' ' 43' ' ' VAL . 1.7 p -138.97 141.29 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -45.11 146.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.83 -11.21 27.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.768 ' OD2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -100.53 163.73 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 11.5 tttt -130.34 115.3 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 90' ' ' VAL . 6.8 mt -71.66 114.11 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.7 p -94.93 -21.76 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.0 tt0 -165.51 160.01 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.801 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.54 140.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.14 24.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 93.61 -37.03 3.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 121.52 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 137.25 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 ' CG1' ' A' ' 63' ' ' VAL . 18.4 mt -108.09 17.4 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.15 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.8 m -114.62 51.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 152.03 44.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -75.42 162.75 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.434 ' HA ' HD11 ' A' ' 38' ' ' ILE . 1.7 ttm -56.4 -57.16 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.22 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.16 -54.85 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HB2' HD22 ' A' ' 68' ' ' LEU . . . -52.29 -51.25 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 79' ' ' VAL . 66.3 t -59.25 -56.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.5 tttt -39.07 -30.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -89.83 -46.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 17.3 mt -59.95 -15.79 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' VAL . 15.3 t -110.61 5.24 20.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 83' ' ' SER . 4.6 t -134.91 89.93 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.1 125.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -75.46 -6.42 50.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 93.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 16.1 mt -83.91 143.06 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -124.56 89.41 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.591 ' CE ' HG21 ' A' ' 16' ' ' VAL . 24.6 mtm -90.61 142.61 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.668 ' HB3' HG23 ' A' ' 11' ' ' ILE . 43.1 mmm -125.4 114.73 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.768 HG21 ' OD2' ' A' ' 58' ' ' ASP . 27.8 m -102.76 155.52 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -106.21 105.19 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 143.58 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 ptm -72.97 166.56 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -39.85 141.18 0.75 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.01 168.57 18.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.16 91.37 0.94 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -140.15 135.65 32.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.58 -58.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -120.74 127.24 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.13 160.91 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.06 104.76 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -178.71 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.05 155.97 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.97 121.33 0.56 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -54.18 -54.08 44.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.44 150.75 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.73 156.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -92.1 145.25 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.3 m-70 -111.97 150.42 30.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.649 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.9 133.83 54.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' MET . 2.7 p -145.86 150.1 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -131.03 104.8 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 49' ' ' ALA . 42.2 t -99.99 118.45 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.51 164.26 23.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.45 125.47 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -86.92 162.0 45.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo -74.97 68.97 5.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 20' ' ' PRO . . . 174.51 177.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.42 66.24 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.17 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.63 152.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -70.59 162.74 28.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 6.45 59.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 20.2 p90 -138.0 158.81 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.72 129.27 55.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' CE ' ' A' ' 73' ' ' MET . 22.3 m -108.53 154.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -125.37 167.12 15.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.69 -150.7 19.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.23 -90.86 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -145.88 76.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -61.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -93.38 -56.16 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.39 64.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mt -139.04 176.2 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . -82.75 -138.97 3.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.6 mm -107.98 137.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.78 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 59' ' ' LYS . 6.0 m-85 -133.48 143.13 48.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 54' ' ' LEU . 16.2 t -73.51 147.78 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.31 -48.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 158.2 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.99 114.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.84 149.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 138.08 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.55 32.78 10.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 170.58 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.06 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.2 t -67.96 -28.01 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.15 -58.51 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -30.44 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -86.09 -36.54 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.86 -23.14 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.13 -14.26 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.2 tp -63.07 142.12 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.725 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.5 174.59 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 108.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 138.48 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.72 -28.8 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB3' HG11 ' A' ' 90' ' ' VAL . 78.6 m-20 -52.56 156.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.602 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.57 102.8 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -69.45 117.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.8 p -101.33 -19.51 15.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.43 153.94 9.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 2.3 p -155.38 128.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 63' ' ' VAL . 4.2 m120 84.44 -42.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.78 -38.13 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -71.89 128.8 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' HD23 ' A' ' 68' ' ' LEU . 41.4 t -75.22 129.51 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.2 mt -105.48 42.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.79 -26.1 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -142.1 37.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -112.82 143.38 44.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -60.04 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.521 ' CE ' HG23 ' A' ' 28' ' ' VAL . 3.3 ttm -95.9 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.3 -67.76 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -42.43 -50.37 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.21 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 80' ' ' LEU . 95.7 t -54.69 -47.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -52.7 -45.76 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' SER . 60.8 t -70.37 -27.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.836 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -77.9 -13.62 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 p -106.37 5.58 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -125.78 69.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t 177.02 136.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 t -91.02 3.65 54.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.63 89.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.836 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.6 mp -84.46 134.94 34.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -123.96 90.44 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 14' ' ' VAL . 30.2 mtm -89.83 141.36 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 32.4 mmm -123.88 116.8 23.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 58' ' ' ASP . 33.2 m -102.8 158.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 HD11 ' A' ' 11' ' ' ILE . 1.9 mtp85 -112.9 111.81 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -108.11 138.27 44.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.59 159.18 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -43.87 -95.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 p -176.88 127.24 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.61 164.82 13.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 70.42 5.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.17 151.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.035 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.7 p -85.01 149.14 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 p -69.04 85.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.56 -68.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t 63.5 120.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 92.5 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.78 97.73 0.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.5 m -161.67 147.71 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.97 86.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -46.39 163.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -92.94 142.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.51 ' O ' ' HE3' ' A' ' 89' ' ' MET . 5.6 m-70 -100.55 150.71 22.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.47 52.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.0 p -145.54 149.15 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -134.73 105.22 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 88' ' ' MET . 43.0 t -93.04 145.67 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 167.99 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.96 168.94 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -176.17 130.02 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.93 -66.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.36 -58.88 0.35 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' LEU . 12.6 tpp180 -105.14 107.55 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -41.99 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -22.41 2.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 24' ' ' LEU . 30.1 p90 -120.74 159.97 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.85 140.27 50.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 73' ' ' MET . 27.8 m -114.53 156.67 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -141.0 166.59 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.55 -112.37 4.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.24 -103.98 1.21 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.6 p -148.64 85.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.57 -56.51 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -55.1 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.33 55.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -127.75 -178.91 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.57 -152.17 29.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 ' SD ' ' A' ' 73' ' ' MET . 15.6 mm -90.64 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 49.6 m-85 -131.22 135.84 47.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.07 128.04 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.17 -54.56 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.84 168.55 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -143.49 106.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.39 123.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 148.93 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.45 51.01 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.6 p -108.94 166.06 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -28.19 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -66.97 -62.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -29.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -88.34 -34.82 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.92 -21.38 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.05 -12.37 9.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 14.9 tp -68.9 146.42 52.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.98 -171.28 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.16 146.68 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.18 -24.93 24.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB3' HG11 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -57.98 152.39 16.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 22.2 tttt -129.92 109.69 11.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.78 116.01 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.2 p -98.06 -19.23 18.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 21.7 tt0 -164.34 155.48 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 68' ' ' LEU . 1.3 p -150.52 139.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 48.34 24.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 94.46 -34.7 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.09 131.23 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -83.22 146.69 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 63' ' ' VAL . 23.7 mt -116.98 18.82 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.88 -42.78 57.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 p -124.71 54.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.37 153.58 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 p -71.04 139.28 50.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.627 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.3 tpp -43.63 -62.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.28 -60.77 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -39.6 -66.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -39.99 -51.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 81' ' ' THR . 64.3 t -61.01 -54.24 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -30.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.19 -45.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.734 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 14.7 mt -60.35 -33.32 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 77' ' ' VAL . 29.9 p -62.93 -33.89 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -107.14 -141.89 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t 58.38 111.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.47 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . 1.9 m -68.7 -8.13 39.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -156.58 95.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -83.83 130.01 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CD2' ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -117.93 87.67 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.514 ' HE1' HG21 ' A' ' 16' ' ' VAL . 9.4 mtm -91.4 143.69 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.665 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.4 mmm -129.26 117.01 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 58' ' ' ASP . 34.6 m -101.96 156.39 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -107.1 117.82 35.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -132.99 150.92 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.2 146.69 24.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.39 100.18 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.76 137.46 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -77.73 156.03 43.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.63 9.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -75.91 150.04 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 m -107.2 -61.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.77 153.37 40.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.55 111.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 -159.85 19.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -155.0 119.93 4.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.06 160.55 14.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.46 -110.3 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -135.87 -46.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.86 108.24 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.7 mp -66.36 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -99.41 145.35 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.524 ' O ' ' HE2' ' A' ' 89' ' ' MET . 30.4 m-70 -115.11 137.85 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -105.01 136.33 44.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 88' ' ' MET . 2.2 p -145.57 153.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 5.3 mtm180 -134.26 108.51 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 93.7 t -104.86 138.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.43 134.41 34.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 135.37 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 p -94.8 153.86 39.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -11.79 21.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.57 -58.64 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.08 58.5 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 178.38 141.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.717 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.12 163.02 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.73 60.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.8 p90 -135.79 154.38 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.31 137.11 41.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG23 ' HE3' ' A' ' 73' ' ' MET . 2.7 m -112.79 164.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -129.13 162.63 27.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.45 -125.84 36.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.19 95.26 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.8 t -169.51 146.94 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.56 89.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -140.35 -62.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.98 -27.93 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 37' ' ' GLY . 4.3 pp -58.65 -48.75 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.756 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.543 ' N ' HD12 ' A' ' 36' ' ' LEU . . . 99.33 -126.35 8.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 73' ' ' MET . 10.0 mm -123.73 142.93 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 20.9 m-85 -134.53 142.85 47.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG22 HD11 ' A' ' 60' ' ' ILE . 10.8 t -81.78 144.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.21 -50.29 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -136.79 155.43 49.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 32.6 t -135.94 105.82 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.27 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 145.97 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.09 24.35 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 163.5 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . 5.5 p -62.77 -26.91 68.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -67.45 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -30.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.74 -34.58 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 15' ' ' ARG . . . -63.69 -22.28 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.92 -12.39 8.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -69.74 152.14 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.33 -174.69 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 t -84.68 144.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.39 15.25 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 90' ' ' VAL . 79.7 m-20 -114.47 150.52 34.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 58.2 tttt -124.37 104.09 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 4.7 mt -71.96 116.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -98.39 -31.8 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 22.7 tt0 -148.39 154.39 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.791 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.7 t -147.4 152.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.506 ' ND2' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.0 30.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 87.18 -40.62 3.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.02 122.24 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -71.7 134.92 46.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 67' ' ' SER . 11.4 mt -115.08 38.52 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.31 -30.18 48.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -140.64 45.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 m -118.51 148.02 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.8 t -67.35 165.15 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.507 ' HE3' HG23 ' A' ' 28' ' ' VAL . 10.8 tpp -66.63 -61.32 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -38.11 -69.94 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 m -39.95 -57.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.68 36.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.959 ' O ' HG23 ' A' ' 81' ' ' THR . 93.4 t -69.99 -58.43 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -36.2 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -41.13 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.955 ' O ' HD21 ' A' ' 86' ' ' LEU . 6.2 mt -66.64 -10.5 46.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.959 HG23 ' O ' ' A' ' 77' ' ' VAL . 65.3 p -102.37 5.21 39.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.0 m -129.7 82.56 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 162.48 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -80.64 4.44 18.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -159.58 94.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.955 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.7 mp -83.82 118.07 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -101.89 87.74 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.791 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.0 mtm -90.41 136.12 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.524 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -114.23 116.49 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.0 m -105.22 156.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.63 107.47 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.36 137.06 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.1 152.04 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.07 -120.0 5.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.25 -54.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.4 97.35 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 57.23 4.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.67 141.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.9 m -58.97 168.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m 63.27 146.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -80.01 168.65 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.07 -168.99 30.14 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 60.82 150.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -178.72 159.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.045 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.03 128.84 5.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 73.1 -60.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 133.29 55.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.4 158.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.33 148.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.645 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.4 m80 -110.49 128.84 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 130.21 47.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -146.29 148.39 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -130.72 106.96 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HE3' ' A' ' 88' ' ' MET . 99.5 t -97.65 152.55 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -115.19 148.62 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -73.16 135.54 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.6 p -114.49 151.02 44.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.43 4.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.47 -60.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.39 -96.42 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 156.81 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 80' ' ' LEU . 1.3 mm? -56.25 154.73 7.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -10.26 57.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CD2' ' CD2' ' A' ' 54' ' ' LEU . 17.2 p90 -124.7 148.33 48.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.09 130.0 37.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.28 159.39 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.09 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.24 -154.44 16.68 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.59 -112.95 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.8 p -171.63 107.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -179.79 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -37.97 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.87 55.57 0.82 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 39' ' ' PHE . 3.8 pp -116.63 -38.57 3.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.29 -141.05 15.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 73' ' ' MET . 39.6 mm -111.01 140.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 15.7 m-85 -132.93 144.64 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -85.06 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -51.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -129.79 160.81 32.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 54' ' ' LEU . 44.1 t -144.58 100.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.19 129.92 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.46 161.45 30.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 24.52 5.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 -178.17 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ALA . 61.3 p -76.34 -34.08 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.34 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -29.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -86.28 -36.12 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.77 -22.51 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.59 -11.27 10.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 15.0 tp -73.04 125.26 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.85 -169.98 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 18.1 t -87.6 149.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.06 46.03 5.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' HG11 ' A' ' 90' ' ' VAL . 2.5 m-20 -136.15 154.78 50.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 43.6 tttt -127.66 101.64 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.7 mt -69.17 114.73 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -95.81 -33.38 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' MET . 24.2 tt0 -142.85 152.73 42.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.5 t -145.11 144.06 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 39.7 35.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.85 -41.36 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' VAL . 3.3 mt -61.63 131.29 49.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.808 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -84.07 145.73 28.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 67' ' ' SER . 7.1 mt -127.13 36.87 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.5 -19.15 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -153.07 33.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.6 m -101.26 148.6 24.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 p -70.05 141.32 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.4 tpp -47.15 -58.82 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -70.21 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 m -39.35 -61.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.43 -46.66 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.825 ' O ' HG22 ' A' ' 81' ' ' THR . 88.2 t -64.6 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' C ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -51.09 -26.26 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.2 t -96.14 -42.66 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.874 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.3 mt -66.84 -10.45 48.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 77' ' ' VAL . 8.1 t -105.72 5.19 30.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 t -129.44 -147.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 14.4 m 52.97 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.9 m -117.03 -5.33 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 96.55 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -82.97 108.92 16.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -98.25 86.97 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.801 ' HG3' HG13 ' A' ' 63' ' ' VAL . 19.0 mtm -89.4 134.21 34.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.52 117.36 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.41 155.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -111.56 117.66 33.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.86 141.4 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.4 mtp -71.69 171.08 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -37.78 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.6 p -169.86 158.61 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.961 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.97 97.72 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -154.15 -52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.73 107.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.582 1.176 . . . . 0.0 110.99 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 92.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -162.29 144.24 10.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.35 161.82 24.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -119.32 132.19 55.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -89.54 125.2 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.87 -148.69 8.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -50.25 171.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 68.73 161.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.1 mt 62.74 164.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 3.6 mm -75.37 140.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' MET . 10.9 m170 -101.28 158.29 16.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -115.33 138.06 51.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.95 148.2 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.616 ' CG ' ' CE1' ' A' ' 87' ' ' HIS . 7.0 mtm180 -128.43 111.04 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.59 138.59 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.94 165.4 12.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -80.96 125.78 30.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 162.69 71.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.71 2.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.48 66.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ARG . . . -165.07 63.82 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 36.2 -153.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 110.268 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.1 162.63 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.0 3.54 60.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 3.7 p90 -136.63 -178.12 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 128.75 40.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.87 148.01 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -121.14 175.0 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.75 -113.59 1.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' HA2' HD13 ' A' ' 38' ' ' ILE . . . 87.36 109.06 0.91 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.54 113.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -155.36 -47.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.6 65.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.64 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.39 -47.25 3.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.704 HD13 ' HE2' ' A' ' 39' ' ' PHE . 3.6 pp -46.19 170.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 -145.88 8.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.584 HD13 ' HA2' ' A' ' 31' ' ' GLY . 27.7 mm -86.68 143.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.704 ' HE2' HD13 ' A' ' 36' ' ' LEU . 95.5 m-85 -127.07 138.32 53.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 t -81.56 126.42 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -54.48 3.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -132.1 169.11 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 54' ' ' LEU . 55.5 t -144.92 108.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.79 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.36 164.61 24.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.02 26.49 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.13 -178.35 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.4 m -77.41 -22.34 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -72.24 -69.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -31.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.79 -36.01 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 48' ' ' SER . . . -64.58 -20.58 66.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.64 -8.91 14.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 88' ' ' MET . 15.6 tp -70.92 129.43 39.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.34 -172.57 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 42' ' ' LYS . 6.5 t -84.22 146.77 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.44 -26.09 15.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -51.15 149.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 12.5 tttt -128.23 101.03 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 88' ' ' MET . 5.7 mt -67.48 111.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 91' ' ' ARG . 33.6 p -90.47 -23.06 21.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.2 tt0 -159.78 157.72 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.971 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.09 142.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.31 23.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.72 -38.24 3.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 124.8 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' HD23 ' A' ' 68' ' ' LEU . 29.2 t -78.36 140.66 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.971 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.4 mt -110.61 19.79 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.25 4.2 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -174.98 47.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.7 152.93 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 75' ' ' SER . 8.4 t -69.11 141.57 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.4 ttt -48.99 -51.44 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.53 -69.65 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.2 t -40.26 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.76 -42.41 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 81' ' ' THR . 96.4 t -70.33 -57.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.21 -31.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 75' ' ' SER . 23.1 t -84.41 -45.22 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.585 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 16.2 mt -61.32 -16.76 49.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.4 t -109.7 5.57 22.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.0 t -129.34 84.17 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 158.78 160.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -111.87 0.08 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.88 91.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.11 146.18 28.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.616 ' CE1' ' CG ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -127.63 89.37 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -91.85 151.53 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -125.23 111.97 15.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.86 154.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.563 ' CZ ' HG21 ' A' ' 61' ' ' THR . 0.1 OUTLIER -110.16 156.05 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.96 149.33 38.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.51 159.73 40.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.15 71.22 2.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.95 133.66 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.69 99.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.85 5.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.4 t 65.45 124.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.0 149.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.67 171.78 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.13 134.8 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.76 -57.15 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 71.3 -61.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.039 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.5 169.45 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.32 -121.07 0.99 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -143.18 -62.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 112.6 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.38 154.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.92 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.72 ' O ' ' HE3' ' A' ' 89' ' ' MET . 10.2 m170 -110.83 154.73 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -119.0 135.56 54.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -145.88 149.47 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.34 105.09 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 49' ' ' ALA . 82.0 t -93.43 121.47 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 160.91 24.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' SER . 6.7 ptmt -108.13 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.541 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER 158.26 -49.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 19' ' ' SER . 18.5 Cg_endo -74.95 -31.67 6.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 47.12 64.06 1.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.56 122.63 0.62 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.33 92.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.2 mm? -44.17 150.31 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.39 -8.96 40.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -128.29 157.2 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.47 131.58 55.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 38' ' ' ILE . 17.3 m -110.61 148.44 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -127.12 169.25 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.7 -132.35 11.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.54 96.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -171.41 146.77 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.15 113.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 -56.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.84 69.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' C ' HD12 ' A' ' 36' ' ' LEU . 4.3 pp -169.47 165.72 10.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.71 -131.63 7.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' CE ' ' A' ' 73' ' ' MET . 12.0 mm -119.29 141.51 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 75.1 m-85 -122.97 139.73 53.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 t -78.71 123.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -55.22 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -137.9 167.84 20.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -145.58 109.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 131.44 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.42 160.29 31.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.95 30.8 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -101.0 179.63 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -74.29 -34.01 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -66.29 -62.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -30.58 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -34.09 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.83 -20.98 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.3 -13.35 9.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.7 tp -65.96 131.0 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.46 -177.21 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 42' ' ' LYS . 10.7 t -87.01 147.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.14 -28.7 10.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.2 m-20 -55.93 154.5 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 19.6 tttt -129.14 108.56 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 119.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.1 p -101.16 -21.87 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 25.2 tt0 -164.55 157.43 17.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.929 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.1 p -158.97 139.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.59 19.52 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.46 -40.73 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 120.66 11.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 135.08 38.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 63' ' ' VAL . 5.3 mt -111.82 46.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.68 -6.13 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 p -151.41 27.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.456 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -112.9 164.31 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -91.23 159.57 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.706 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.79 -56.48 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.43 -69.76 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -40.08 -60.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -48.12 -48.18 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 73' ' ' MET . 74.9 t -60.76 -43.27 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 81' ' ' THR . 4.0 mttt -51.46 -22.03 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.917 ' O ' HD21 ' A' ' 86' ' ' LEU . 43.9 t -97.02 -25.58 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.875 ' O ' HD21 ' A' ' 24' ' ' LEU . 16.1 mt -86.26 -12.44 49.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 77' ' ' VAL . 1.1 p -49.46 -52.68 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t 166.94 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -141.25 22.67 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER 86.61 -43.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.961 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -162.16 101.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.917 HD21 ' O ' ' A' ' 79' ' ' VAL . 16.1 mt -83.89 135.81 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.13 89.93 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.6 mtm -90.86 144.72 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.72 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 41.5 mmm -124.84 116.06 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.6 m -102.41 156.03 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -110.66 106.97 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -101.73 165.28 11.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 54.6 mmm 60.83 136.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.31 61.2 0.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t 65.2 124.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.72 143.3 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -179.58 5.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -149.64 -59.01 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.2 m -116.53 161.62 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -148.19 135.9 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -90.24 154.51 19.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.84 174.17 20.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -159.64 126.84 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -154.3 154.64 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.53 119.23 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -141.88 153.62 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.44 107.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -76.77 161.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.0 mm -101.34 145.86 10.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.491 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.5 m170 -108.1 128.64 54.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.453 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -97.83 129.59 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -146.4 148.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -127.42 102.67 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.09 126.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.37 153.75 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 160.82 31.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -140.19 148.76 55.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 81.97 2.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.78 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -49.98 0.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 130.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? -51.7 152.08 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.34 -13.16 35.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 54' ' ' LEU . 10.7 p90 -124.39 156.01 37.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.69 129.45 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' CE ' ' A' ' 73' ' ' MET . 30.2 m -112.58 144.07 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.36 161.8 18.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.95 -113.75 3.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.78 59.66 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -118.58 170.42 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.29 -51.92 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -42.58 -48.55 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -85.55 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 36' ' ' LEU . 17.9 mt 52.08 177.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.47 -158.16 33.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 24.2 mm -110.11 111.53 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 16.4 m-85 -105.26 139.66 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.51 139.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.553 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -118.96 -37.2 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.21 160.12 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.823 HG21 ' HA ' ' A' ' 55' ' ' CYS . 79.6 t -140.82 111.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.98 135.29 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.03 156.7 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.88 25.69 7.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 169.53 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.797 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -67.01 -35.91 80.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -53.31 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -46.27 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -66.25 -39.42 89.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.62 -25.46 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.62 -7.89 17.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 26' ' ' PHE . 29.2 tp -73.03 127.48 32.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.823 ' HA ' HG21 ' A' ' 43' ' ' VAL . 33.1 m -148.66 157.52 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -61.44 152.05 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 -4.8 56.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.99 161.18 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 8.6 tttt -128.78 110.46 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -71.72 111.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -92.5 -19.17 22.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 63' ' ' VAL . 29.4 tt0 -160.38 158.18 29.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.849 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -156.74 134.89 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.82 21.86 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.56 -41.34 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 119.81 8.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.452 ' C ' HD23 ' A' ' 68' ' ' LEU . 46.0 t -77.13 134.24 38.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.849 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.7 mt -114.48 36.81 3.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.66 4.27 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.49 40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.87 156.01 42.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.2 p -65.32 -172.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.0 ttm -91.73 -61.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -42.05 -64.8 1.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -38.87 -52.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 68' ' ' LEU . . . -59.64 -54.68 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 81' ' ' THR . 85.8 t -51.34 -44.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.29 -28.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.659 ' O ' HD21 ' A' ' 86' ' ' LEU . 71.0 t -96.44 -36.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.868 ' O ' HD21 ' A' ' 24' ' ' LEU . 5.5 mt -67.72 -15.83 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 77' ' ' VAL . 1.8 t -97.95 4.02 49.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -137.71 -148.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 82' ' ' SER . 75.5 m 59.3 120.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -61.15 -14.24 23.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -162.67 106.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.659 HD21 ' O ' ' A' ' 79' ' ' VAL . 14.0 mt -83.83 143.12 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -123.35 88.94 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.599 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 63' ' ' VAL . 22.0 mtm -89.82 146.95 24.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.487 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.2 mmt -130.63 112.67 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 12' ' ' HIS . 34.8 m -102.43 157.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -112.1 120.73 42.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -134.46 146.28 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ptp -108.12 -11.02 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.39 110.47 1.85 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.4 t -104.63 -54.45 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.76 159.04 32.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.1 m 59.64 114.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -57.97 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.82 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.647 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.0 m170 -104.62 141.6 36.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.15 129.52 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.32 149.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -130.68 105.13 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 88' ' ' MET . 53.6 t -96.55 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.39 -19.45 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.653 ' HB3' HD23 ' A' ' 54' ' ' LEU . 13.3 p90 -122.45 154.9 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 125.89 51.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 73' ' ' MET . 5.9 m -107.88 153.82 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -128.74 150.94 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' HD13 ' A' ' 38' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.458 HG23 ' HB ' ' A' ' 28' ' ' VAL . 36.4 mm -123.59 121.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 15.7 m-85 -120.25 142.23 49.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 54' ' ' LEU . 7.0 t -79.46 141.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -119.94 -51.57 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.13 163.85 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.02 108.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -39.04 152.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.81 147.66 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.55 34.72 5.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.31 178.4 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -29.3 61.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.66 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -33.77 44.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.93 -35.57 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.77 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -6.72 18.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 26' ' ' PHE . 21.8 tp -73.76 129.89 38.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.82 -178.65 5.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 9.5 t -81.15 139.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.8 40.36 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -145.14 155.49 43.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 2.2 tttt -128.45 120.32 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.37 114.62 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.1 p -92.69 -31.15 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -152.61 155.88 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.808 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.2 p -156.19 144.1 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.784 HD22 HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER 47.49 24.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.83 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 124.01 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.482 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -79.66 131.87 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.3 mt -115.65 43.14 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -90.6 -13.87 33.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.29 42.51 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.05 160.14 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 t -80.13 157.48 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.658 ' CE ' HG23 ' A' ' 28' ' ' VAL . 20.1 tpp -59.25 -56.65 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.59 -69.95 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -40.44 -52.9 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.54 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 69.9 t -49.03 -55.5 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.8 tttt -44.43 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.528 ' O ' HD21 ' A' ' 86' ' ' LEU . 38.3 t -52.23 -40.06 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.777 ' O ' HD21 ' A' ' 24' ' ' LEU . 9.2 mt -60.76 -30.24 69.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -106.06 5.86 30.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -119.3 84.47 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.038 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.8 t 160.41 156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -104.59 -5.03 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.23 90.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.784 HD23 HD22 ' A' ' 64' ' ' ASN . 7.6 mt -84.46 143.67 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.35 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.561 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.493 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 11' ' ' ILE . 27.8 mmm -127.32 120.33 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.98 159.94 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -112.46 114.86 27.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -95.04 150.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.3 m170 -113.39 137.62 51.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.89 128.71 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.75 149.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.36 102.92 6.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CE ' ' A' ' 88' ' ' MET . 68.3 t -95.55 130.26 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.883 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.16 -16.22 18.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.705 ' HB3' HD23 ' A' ' 54' ' ' LEU . 12.2 p90 -123.69 155.79 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 131.88 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 38' ' ' ILE . 15.9 m -108.69 155.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -126.86 157.46 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 20.2 mm -123.79 129.74 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m-85 -127.43 141.28 51.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 t -79.5 142.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.7 -49.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.1 tmtt? -133.14 166.1 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.33 111.76 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.42 144.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.8 145.47 50.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.87 40.57 5.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.08 162.46 13.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' ALA . 19.1 p -57.72 -32.58 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -61.01 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -36.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.04 -35.45 31.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.5 -21.61 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.69 -7.61 19.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.705 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.3 tp -70.93 128.16 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.35 -173.8 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 41' ' ' SER . 4.0 t -87.4 138.87 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.2 34.38 5.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.498 ' HB3' HG11 ' A' ' 90' ' ' VAL . 25.7 m-20 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 11.4 tttt -126.57 111.03 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.54 111.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -90.0 -24.61 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -157.56 155.5 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.694 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.6 p -157.93 140.62 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.72 HD22 HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 56.82 18.66 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.73 -35.91 3.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 123.88 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.549 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.32 132.59 38.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.0 mt -113.22 31.71 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -76.77 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -151.95 30.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -105.85 160.0 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.0 p -78.9 -165.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 24.7 ttm -98.31 -51.73 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.24 -61.26 4.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -56.32 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.64 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 73' ' ' MET . 40.8 t -48.51 -57.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -42.36 -69.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD21 ' A' ' 86' ' ' LEU . 26.4 t -52.44 -38.67 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.883 ' O ' HD21 ' A' ' 24' ' ' LEU . 7.8 mt -62.62 -26.79 68.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 78' ' ' LYS . 9.4 t -110.04 5.88 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . 3.8 m -123.32 77.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t 176.23 154.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -12.49 19.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -156.06 91.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.72 HD23 HD22 ' A' ' 64' ' ' ASN . 6.7 mt -83.87 144.87 28.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -126.58 89.72 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.566 ' CE ' HG21 ' A' ' 16' ' ' VAL . 30.9 mtm -91.28 142.03 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.619 ' HB3' HG23 ' A' ' 11' ' ' ILE . 30.6 mmm -128.91 120.71 26.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 12' ' ' HIS . 28.8 m -103.05 166.35 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.1 101.65 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.2 mm -95.79 140.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' HE2' ' A' ' 89' ' ' MET . 16.0 m-70 -112.31 146.89 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.38 133.71 51.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.6 p -144.91 150.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 10.9 mtm180 -131.42 102.4 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -98.8 138.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.919 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -11.99 35.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.709 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 5.2 p90 -127.36 159.42 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 124.34 50.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.77 147.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -114.18 161.92 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.651 HD12 ' SD ' ' A' ' 73' ' ' MET . 26.2 mm -79.61 154.55 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 19.5 m-85 -136.25 150.38 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.28 131.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.3 t -107.48 -52.65 2.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 167.52 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 50' ' ' GLU . 56.0 t -144.53 109.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.69 128.75 21.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.24 163.5 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.5 27.58 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.23 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.9 p -77.75 -25.01 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -68.51 -68.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.551 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -45.02 -27.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -88.45 -35.7 16.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -64.11 -21.64 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.47 -10.17 11.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 26' ' ' PHE . 13.4 tp -71.95 129.91 39.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.46 -172.42 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 108.285 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' SER . 20.0 t -82.65 142.12 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.64 37.06 7.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -120.83 153.97 36.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 8.9 tttt -128.81 107.66 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.9 mt -73.1 116.31 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.1 p -100.54 -31.28 11.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 21.7 tt0 -143.78 153.52 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.726 HG22 ' CG ' ' A' ' 88' ' ' MET . 94.8 t -151.72 123.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.522 HD22 HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 64.23 19.27 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 -34.82 5.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.93 130.69 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.468 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.66 131.66 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 67' ' ' SER . 4.9 mt -114.16 45.14 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.21 1.2 37.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 p -179.09 67.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -141.43 153.6 45.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 75' ' ' SER . 1.8 t -59.9 139.93 57.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.5 tpp -53.42 -57.36 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.09 -65.32 0.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.531 ' HB2' HG23 ' A' ' 72' ' ' THR . 2.1 m -39.85 -63.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.88 -49.8 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 79' ' ' VAL . 75.0 t -61.72 -56.78 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -39.93 -29.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -90.2 -45.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.919 ' C ' HD21 ' A' ' 24' ' ' LEU . 4.5 mt -58.58 -16.46 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.478 ' N ' HD21 ' A' ' 24' ' ' LEU . 9.8 t -107.94 5.53 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 1.2 t -129.69 85.67 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.7 t 159.62 138.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t -89.64 -2.61 58.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -162.69 88.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD23 HD22 ' A' ' 64' ' ' ASN . 6.4 mt -84.47 145.02 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.62 89.61 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.726 ' CG ' HG22 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -100.63 148.86 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -129.39 119.54 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.6 m -102.44 153.54 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt-85 -111.53 111.48 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.596 HD11 ' NH1' ' A' ' 91' ' ' ARG . 2.8 mm -92.64 152.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.496 ' HB2' HG22 ' A' ' 90' ' ' VAL . 13.5 m-70 -118.36 136.26 53.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.632 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.445 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -99.72 128.98 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.8 p -145.9 150.54 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.555 HH21 ' NE ' ' A' ' 85' ' ' ARG . 23.1 mtp180 -133.79 105.76 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.612 HG21 ' CE ' ' A' ' 88' ' ' MET . 70.7 t -98.93 124.68 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.89 45.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.3 p90 -128.66 155.29 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.69 126.14 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' CE ' ' A' ' 73' ' ' MET . 15.9 m -108.68 149.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -117.29 156.85 27.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 73' ' ' MET . 33.8 mm -95.43 128.29 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 44.7 m-85 -119.89 141.64 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 54' ' ' LEU . 18.2 t -80.79 146.53 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -47.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 38.8 tptt -139.4 156.88 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 43.0 t -138.06 107.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.35 145.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.21 147.88 36.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 28.0 10.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.91 179.61 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.4 m -75.88 -30.86 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.08 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -27.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -87.1 -36.43 18.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.78 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.31 -3.24 18.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 40' ' ' VAL . 26.7 tp -73.61 132.17 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.01 -178.9 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.7 t -88.08 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.52 -4.92 62.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.08 159.19 34.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 35.2 tttt -128.35 103.27 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.1 mt -72.85 120.2 21.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.0 p -103.56 -17.76 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.3 tt0 -160.68 158.77 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.848 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.73 136.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.17 21.7 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.59 -43.49 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 122.41 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.87 135.07 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 ' CG1' ' A' ' 63' ' ' VAL . 13.4 mt -107.77 37.62 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.06 -0.9 57.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.69 34.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.25 155.11 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -67.99 -164.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.542 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.8 ttm -94.77 -51.68 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.96 -64.74 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -38.43 -61.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.044 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -44.08 -47.66 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' LEU . 65.8 t -66.31 -60.78 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -35.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' SER . 58.1 t -79.65 -45.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 86' ' ' LEU . 1.6 mt -59.93 -31.09 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -87.19 5.27 38.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' SER . 8.2 t -134.06 90.92 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER 159.28 142.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -97.25 33.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.555 ' NE ' HH21 ' A' ' 15' ' ' ARG . 6.1 mtp180 169.4 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 80' ' ' LEU . 1.1 mp -93.51 131.24 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.463 ' NE2' ' SD ' ' A' ' 89' ' ' MET . 3.4 t-80 -119.34 89.77 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.612 ' CE ' HG21 ' A' ' 16' ' ' VAL . 6.2 mtm -89.99 147.61 23.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.463 ' SD ' ' NE2' ' A' ' 87' ' ' HIS . 1.4 mmt -131.46 115.28 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.6 m -102.76 158.09 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.596 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -114.23 100.97 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -97.88 141.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.4 m-70 -99.98 140.75 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.6 127.46 53.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.0 p -145.74 147.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 4.7 mtm180 -130.02 103.4 6.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.23 118.9 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.43 -15.29 23.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 11.7 p90 -124.61 158.58 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 128.69 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' HE3' ' A' ' 73' ' ' MET . 7.0 m -107.85 156.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -126.6 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 ' SD ' ' A' ' 73' ' ' MET . 50.2 mm -89.75 128.61 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -119.97 161.08 21.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 t -93.44 147.93 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -48.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 21.4 tptm -140.25 153.3 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 42.9 t -134.83 105.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 125.65 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.07 159.08 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.95 36.64 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 p -108.73 -178.02 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 4.7 m -71.15 -36.13 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.2 -72.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -32.99 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -77.67 -39.64 44.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.18 -23.53 67.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.88 -2.28 17.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.0 tp -70.79 128.37 35.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.2 p -119.7 179.99 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.06 138.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.13 14.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.9 m-20 -103.5 164.8 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -130.0 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG2' HG23 ' A' ' 63' ' ' VAL . 8.6 mt -75.73 118.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -100.93 -23.56 14.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 20.0 tt0 -157.72 156.86 32.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.747 HG13 ' HG3' ' A' ' 88' ' ' MET . 82.5 t -153.53 126.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.48 24.95 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.25 -47.28 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 124.82 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -83.39 122.95 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 71' ' ' THR . 12.2 mt -102.71 43.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.28 -12.59 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -167.72 55.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -129.06 151.61 49.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.436 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 75' ' ' SER . 2.2 t -67.47 136.5 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.673 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.4 tpp -44.22 -49.37 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.07 -70.21 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m -40.11 -60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.75 -45.27 14.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 73' ' ' MET . 99.1 t -65.84 -57.44 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -44.0 -39.88 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 75' ' ' SER . 46.3 t -79.89 -45.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 86' ' ' LEU . 5.8 mt -60.15 -19.33 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 77' ' ' VAL . 12.0 t -109.3 5.29 23.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -130.08 81.79 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.02 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.3 m -94.8 7.02 47.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.004 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -166.73 97.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 80' ' ' LEU . 1.3 mp -88.15 123.64 33.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -110.41 87.98 2.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.747 ' HG3' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.17 142.89 28.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 31.7 mmm -133.45 122.27 23.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.5 m -101.71 159.06 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -107.88 101.91 11.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.85 144.14 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.622 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m-70 -109.36 134.1 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.5 OUTLIER -98.72 126.98 44.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.1 p -145.17 147.89 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 5.2 mtt180 -131.65 103.82 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -92.03 139.84 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.57 -14.22 34.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 80' ' ' LEU . 11.4 p90 -123.21 155.32 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.74 126.9 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 73' ' ' MET . 11.8 m -108.72 157.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -124.44 163.75 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 73' ' ' MET . 30.3 mm -95.6 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 13.3 m-85 -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.44 147.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -126.31 -50.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.77 157.34 47.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.96 102.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.56 128.5 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.26 165.81 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.56 34.02 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -104.18 -178.08 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.039 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.6 p -75.74 -35.27 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -63.18 -64.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -36.07 58.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.37 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.86 -13.79 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.9 tp -67.67 128.52 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -174.07 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -89.85 140.75 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.27 23.7 8.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.02 159.65 35.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.28 124.53 32.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.23 111.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.579 HG22 ' CD ' ' A' ' 59' ' ' LYS . 43.8 p -94.13 -19.23 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -156.94 153.64 28.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.903 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -160.65 134.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.831 HD22 HD23 ' A' ' 86' ' ' LEU . 1.4 t-20 65.13 11.82 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.9 -31.93 7.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 66' ' ' LEU . 2.9 mt -74.14 136.75 42.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.07 141.95 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 63' ' ' VAL . 12.8 mt -118.21 36.68 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -86.68 -10.29 54.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 p -151.69 38.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.64 152.87 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 t -64.78 -171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.461 ' CE ' HG23 ' A' ' 28' ' ' VAL . 6.6 ttm -90.52 -61.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.02 -66.23 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.9 t -39.79 -54.12 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.4 61.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' LEU . 92.6 t -56.27 -52.79 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.0 -43.37 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 75' ' ' SER . 62.1 t -70.91 -38.59 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 67.7 mt -69.03 -17.92 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.7 p -100.6 4.86 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -137.04 92.34 2.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.57 131.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -88.03 6.22 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.2 91.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.831 HD23 HD22 ' A' ' 64' ' ' ASN . 16.9 mt -87.08 142.52 27.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -123.15 89.73 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.41 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 17.0 mtm -90.6 147.61 23.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -130.13 115.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.622 HG22 ' HB2' ' A' ' 12' ' ' HIS . 32.2 m -102.43 158.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -117.21 103.66 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.0 mm -87.28 148.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.6 m170 -105.1 142.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.6 125.92 53.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.7 p -145.28 146.04 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -124.43 103.59 8.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 88' ' ' MET . 64.7 t -99.13 157.45 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.622 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -12.11 40.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.9 p90 -124.82 155.1 39.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 129.41 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.1 154.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -122.88 153.35 39.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 38' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 37' ' ' GLY . 28.3 mm -131.37 116.97 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 32.6 m-85 -112.22 137.59 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t -74.84 147.19 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.43 -49.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.3 tptt -139.86 153.57 47.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.732 HG12 ' HG3' ' A' ' 50' ' ' GLU . 63.5 t -133.31 106.87 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 140.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' SER . 5.5 mm-40 -78.48 170.25 16.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.81 30.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.5 p -104.33 177.78 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.6 t -76.16 -29.88 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.57 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.732 ' HG3' HG12 ' A' ' 43' ' ' VAL . 2.0 mt-10 -43.86 -33.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -35.46 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.94 -19.68 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -11.23 16.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.597 ' O ' HG11 ' A' ' 43' ' ' VAL . 15.6 tp -72.37 130.61 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.542 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -151.92 179.01 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.269 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 76.7 t -72.19 142.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.1 39.75 4.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' HG11 ' A' ' 90' ' ' VAL . 31.0 m-20 -139.18 152.6 47.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 49.8 tttt -129.17 104.99 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' ' 90' ' ' VAL . 7.9 mt -66.92 113.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.4 p -91.98 -31.71 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -153.65 155.36 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.822 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.4 p -156.52 142.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.07 21.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.24 3.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 124.85 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.545 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.29 127.2 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.822 HD11 ' CG1' ' A' ' 63' ' ' VAL . 4.8 mt -109.67 48.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.09 11.38 30.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m 170.44 48.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -119.64 162.01 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 p -77.85 141.64 39.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.471 ' O ' HG23 ' A' ' 77' ' ' VAL . 16.2 ttm -46.47 -60.86 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.84 -66.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 m -39.37 -63.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.01 -53.85 9.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.671 ' O ' HG22 ' A' ' 81' ' ' THR . 97.7 t -55.49 -50.19 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -30.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -44.02 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.622 ' C ' HD21 ' A' ' 24' ' ' LEU . 32.3 mt -61.84 -13.73 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.8 t -108.89 -8.08 15.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.2 t -122.27 89.42 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.4 m 159.45 129.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -91.12 22.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -85.04 140.69 30.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -121.57 89.69 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.477 ' CE ' HG21 ' A' ' 16' ' ' VAL . 17.7 mtm -91.33 143.15 26.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.602 ' HB3' HG23 ' A' ' 11' ' ' ILE . 42.3 mmm -128.43 117.31 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.9 m -102.72 157.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -109.81 119.13 38.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.5 mt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.8 mm -92.46 151.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -108.51 137.67 46.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.58 129.1 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.5 p -145.61 149.32 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.0 104.88 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -96.66 117.58 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.018 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.85 -15.71 21.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.9 p90 -126.05 154.55 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.06 132.84 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.436 HG23 ' CE ' ' A' ' 73' ' ' MET . 4.1 m -112.33 155.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.27 157.15 42.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 ' SD ' ' A' ' 73' ' ' MET . 20.7 mm -98.58 137.02 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 25.6 m-85 -122.03 158.38 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -93.7 147.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.57 -49.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.5 tptt -137.71 155.46 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.524 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.1 t -138.61 103.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.52 123.84 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.21 162.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.26 28.11 3.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 p -105.46 -178.64 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -72.79 -34.29 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.61 -70.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -30.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -80.82 -39.9 25.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.33 -22.04 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.74 -10.93 12.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 26' ' ' PHE . 14.4 tp -68.52 126.14 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.89 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 6.6 t -89.01 142.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.35 42.72 4.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 90' ' ' VAL . 7.7 m-20 -126.13 159.24 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.3 tttt -130.23 97.62 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.4 mt -69.71 114.34 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.5 p -94.23 -33.05 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 18.8 tt0 -146.49 154.64 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.852 HG13 ' HG3' ' A' ' 88' ' ' MET . 17.3 t -143.11 145.39 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.6 OUTLIER 38.32 32.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 89.26 -43.9 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.0 120.63 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.9 t -74.01 131.01 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 mt -108.69 31.5 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 2.4 mt-10 -86.21 100.51 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER 84.8 26.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -102.67 148.06 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.8 t -63.6 165.37 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.7 tpp -74.54 -54.79 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -69.91 0.44 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -41.04 -54.67 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.89 19.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' THR . 73.7 t -45.48 -51.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 81' ' ' THR . 0.3 OUTLIER -45.88 -71.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.76 -39.16 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.018 ' O ' HD21 ' A' ' 24' ' ' LEU . 10.0 mt -61.88 -26.25 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 78' ' ' LYS . 12.3 t -110.79 6.21 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 7.2 t -126.71 94.69 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 159.8 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.29 -5.2 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -156.06 87.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.686 HD23 HD23 ' A' ' 80' ' ' LEU . 5.3 mp -83.75 127.13 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 88.05 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.633 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.852 ' HG3' HG13 ' A' ' 63' ' ' VAL . 32.8 mtm -90.49 134.37 34.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.583 ' HB3' HG23 ' A' ' 11' ' ' ILE . 23.5 mmm -122.4 119.6 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 12' ' ' HIS . 30.8 m -102.54 157.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -111.75 108.63 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -95.2 142.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 90' ' ' VAL . 8.2 m170 -101.21 126.32 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.444 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.6 128.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.59 150.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -134.91 109.44 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.59 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 96.3 t -99.41 144.09 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.22 -10.46 41.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.511 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.7 p90 -125.06 154.93 40.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.79 118.21 35.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 38' ' ' ILE . 33.6 m -108.05 143.71 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -114.26 157.56 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 28' ' ' VAL . 11.4 mm -114.42 130.59 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 6.5 m-85 -119.29 139.9 51.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.73 140.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.95 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -134.12 159.01 42.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.82 110.14 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 131.65 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.65 164.84 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 40.76 29.86 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.85 -178.76 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.9 m -74.63 -34.87 62.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.3 -65.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -86.79 -35.44 19.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.39 -21.86 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.41 -7.22 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.1 tp -72.53 129.27 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -171.96 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.1 t -84.99 143.68 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.46 7.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' HG11 ' A' ' 90' ' ' VAL . 22.7 m-20 -124.65 146.57 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 33.4 tttt -122.17 108.68 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.63 119.86 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.5 p -102.0 -18.63 15.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 28.5 tt0 -159.27 158.18 32.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.841 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.09 137.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.908 HD22 HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 50.15 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.11 -43.59 2.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 124.54 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.74 140.62 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.841 HD11 ' CG1' ' A' ' 63' ' ' VAL . 9.3 mt -113.75 32.79 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.43 8.24 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 t -178.69 46.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.45 155.91 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -78.22 148.35 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.482 ' CE ' HG23 ' A' ' 28' ' ' VAL . 18.8 tpp -46.89 -54.82 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.29 -69.64 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.24 -58.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.22 -44.5 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.688 ' O ' HG22 ' A' ' 81' ' ' THR . 77.9 t -68.29 -51.62 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.28 -27.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -91.96 -46.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 86' ' ' LEU . 63.7 mt -62.22 -13.4 27.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 77' ' ' VAL . 9.2 t -109.31 5.32 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 31.1 t -139.67 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.5 m 159.88 129.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 m -81.32 -3.17 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -162.46 96.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.908 HD23 HD22 ' A' ' 64' ' ' ASN . 23.5 mt -84.47 146.53 27.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -126.03 89.03 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.59 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 19.2 mtm -91.07 146.72 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -130.23 116.04 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.78 156.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -110.83 110.34 20.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -88.97 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.531 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -99.48 137.35 38.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.1 131.65 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 88' ' ' MET . 2.9 p -145.59 148.15 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 69.6 mtt180 -129.33 111.44 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 49' ' ' ALA . 94.4 t -108.46 149.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.77 -8.1 45.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CD2' HD21 ' A' ' 54' ' ' LEU . 1.9 p90 -131.54 157.6 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.36 128.97 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG23 ' CE ' ' A' ' 73' ' ' MET . 10.2 m -110.28 151.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 30' ' ' GLY . 23.8 ptt85 -101.52 152.69 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.19 147.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 59' ' ' LYS . 18.1 m-85 -138.03 150.43 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 t -88.37 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.98 -42.81 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 13.5 tptm -139.29 154.23 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 54' ' ' LEU . 42.3 t -137.3 103.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.63 130.11 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.32 164.23 24.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.58 31.05 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -73.69 -35.27 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.93 -66.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -31.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -85.29 -35.35 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.94 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.05 -10.94 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.603 HD21 ' CD2' ' A' ' 26' ' ' PHE . 12.9 tp -73.82 126.2 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -175.05 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.9 t -79.83 140.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 34.11 6.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.602 ' HB3' HG11 ' A' ' 90' ' ' VAL . 6.0 m-20 -116.98 156.43 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 9.7 ttpt -129.54 97.76 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.14 114.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.4 p -97.96 -32.45 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 19.0 tt0 -146.84 154.72 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.873 HG13 ' HG3' ' A' ' 88' ' ' MET . 23.1 t -144.79 147.06 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER 39.09 30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 89.64 -42.87 2.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -54.61 119.48 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.652 ' C ' HD23 ' A' ' 68' ' ' LEU . 9.8 t -72.27 127.5 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 67' ' ' SER . 9.0 mt -116.24 32.09 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 p -132.65 46.8 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -123.91 147.83 47.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -68.54 -172.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.451 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.9 ttm -85.47 -57.92 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.92 -67.18 0.78 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -49.86 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.56 80.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 81' ' ' THR . 79.3 t -67.97 -51.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -46.82 -31.69 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.32 -45.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.915 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -61.55 -13.7 23.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 77' ' ' VAL . 13.8 t -109.59 5.34 22.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -131.2 83.2 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.31 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -92.79 25.64 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 179.8 93.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.915 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.5 mp -88.38 117.61 27.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 47.4 m170 -103.67 87.71 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.873 ' HG3' HG13 ' A' ' 63' ' ' VAL . 12.7 mtm -91.29 139.21 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.662 ' HB3' HG23 ' A' ' 11' ' ' ILE . 25.4 mmm -126.79 119.37 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 58' ' ' ASP . 31.4 m -102.52 155.64 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -110.2 122.79 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.3 mm -95.16 140.68 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 10.6 m-70 -108.76 129.94 55.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.443 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.66 128.35 41.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.63 148.63 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mtt180 -128.72 107.31 9.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -100.21 133.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' HE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.03 -8.9 45.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' A' ' 24' ' ' LEU . 3.3 p90 -129.43 155.67 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -106.12 126.08 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' CE ' ' A' ' 73' ' ' MET . 17.3 m -108.43 146.82 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -112.06 156.17 22.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -102.04 133.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 22.0 m-85 -128.99 141.01 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.13 149.19 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 1.1 p -125.5 -42.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -151.07 168.66 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.753 HG21 ' HA ' ' A' ' 55' ' ' CYS . 58.4 t -143.58 109.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.54 137.33 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 152.29 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.54 42.69 10.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.3 p -108.49 173.06 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ALA . 62.8 m -69.34 -29.68 67.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.16 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -41.24 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.52 -39.67 58.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.09 -24.58 67.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.2 2.06 20.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 34.3 tp -82.35 127.72 33.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.76 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.753 ' HA ' HG21 ' A' ' 43' ' ' VAL . 80.1 m -150.15 150.21 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.258 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -54.25 152.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.35 -3.53 47.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' OD2' HG21 ' A' ' 90' ' ' VAL . 3.4 m-20 -105.11 160.86 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -128.87 111.2 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.84 113.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -96.93 -19.85 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -159.13 154.91 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.941 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.3 p -160.2 137.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.8 16.49 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.62 -25.52 20.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.8 mt -77.62 134.06 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -83.48 142.21 31.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG1' ' A' ' 63' ' ' VAL . 7.2 mt -121.52 31.87 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.68 -15.16 58.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.25 50.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 72' ' ' THR . 1.0 OUTLIER -132.4 158.91 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.441 ' O ' HG22 ' A' ' 71' ' ' THR . 1.1 t -76.08 169.05 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.42 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.591 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.1 ttm -71.8 -58.8 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -38.54 -69.55 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' GLY . 8.3 t -39.0 -60.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.33 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 81' ' ' THR . 94.5 t -56.66 -57.16 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -38.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -77.37 -44.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.924 ' O ' HD11 ' A' ' 86' ' ' LEU . 16.0 mt -58.56 -41.46 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' VAL . 5.9 t -81.06 5.35 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 9.4 t -127.96 85.45 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 160.46 142.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 6.2 t -97.29 12.27 33.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 84' ' ' SER . 0.0 OUTLIER -171.52 89.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.924 HD11 ' O ' ' A' ' 80' ' ' LEU . 9.1 mt -84.82 145.71 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -128.28 90.61 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm -89.68 149.06 22.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.1 mmt -129.46 112.61 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.7 m -102.31 158.57 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -118.73 109.22 15.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.261 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.587 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.0 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -97.12 145.41 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.588 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.8 m170 -102.39 136.83 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.97 130.64 53.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.4 p -145.78 149.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 103.89 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 ' HE1' ' A' ' 88' ' ' MET . 38.6 t -96.66 156.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.15 -12.17 36.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -125.42 157.49 36.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.42 134.95 53.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.539 HG23 ' CE ' ' A' ' 73' ' ' MET . 13.5 m -114.18 153.18 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.08 158.23 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' A' ' 73' ' ' MET . 25.6 mm -109.74 137.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 12.2 m-85 -130.43 142.38 50.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 t -79.16 147.03 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.96 -49.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.3 tptp -134.97 150.77 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.0 t -136.23 103.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.86 128.23 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' SER . 7.5 pt-20 -67.04 168.7 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.61 31.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.7 p -104.96 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 94.7 p -72.98 -31.55 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -31.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -35.46 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.06 -21.45 66.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.65 -8.94 14.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.608 ' O ' HG11 ' A' ' 43' ' ' VAL . 16.0 tp -78.02 127.39 32.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 m -139.01 -176.05 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.2 t -80.0 136.01 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.49 35.03 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' HB3' HG11 ' A' ' 90' ' ' VAL . 29.7 m-20 -130.25 156.21 45.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.7 tttt -129.89 110.1 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.66 114.65 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.974 HG21 ' HG2' ' A' ' 91' ' ' ARG . 40.6 p -91.15 -23.58 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.1 tt0 -165.63 157.95 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.815 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -155.09 136.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.763 HD22 HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER 52.77 27.49 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -40.52 3.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 117.46 4.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -76.64 134.67 39.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.815 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.6 mt -112.86 27.08 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.84 1.54 34.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.674 HG21 HD22 ' A' ' 68' ' ' LEU . 1.3 t -129.99 162.59 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.11 143.33 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.6 ttm -46.21 -65.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -37.89 -64.9 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -38.44 -58.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -51.37 -56.57 12.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 81' ' ' THR . 83.9 t -52.16 -49.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -41.15 -31.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' O ' HD21 ' A' ' 86' ' ' LEU . 96.7 t -89.57 -40.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.93 ' O ' HD21 ' A' ' 24' ' ' LEU . 30.5 mt -67.3 -9.85 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.542 HG23 HG12 ' A' ' 77' ' ' VAL . 2.8 p -89.44 -22.17 22.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -115.79 -147.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 55.0 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -64.91 -10.1 26.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -150.65 95.22 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.763 HD23 HD22 ' A' ' 64' ' ' ASN . 23.3 mt -83.71 135.77 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.87 87.25 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 109.609 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.491 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -91.75 145.75 24.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.515 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.7 mmm -132.71 123.34 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.57 156.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.974 ' HG2' HG21 ' A' ' 61' ' ' THR . 12.2 mmt180 -91.95 162.26 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.417 ' HB2' ' NE2' ' A' ' 12' ' ' HIS . 23.9 tpt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.1 mm -98.89 131.14 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -96.73 168.43 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.15 126.87 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.3 p -145.35 146.68 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 19.1 mtp180 -128.73 102.6 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 88' ' ' MET . 72.0 t -96.97 109.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.64 -9.4 51.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.735 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 9.6 p90 -125.82 152.37 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -106.68 124.08 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -108.6 151.01 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.01 160.94 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 73' ' ' MET . 16.5 mm -110.32 130.16 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 23.3 m-85 -121.17 139.4 53.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.96 143.0 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -120.21 -39.6 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 169.37 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 55' ' ' CYS . 69.1 t -146.77 125.1 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -47.6 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.45 136.15 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.65 45.45 1.45 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.0 p -109.0 -178.17 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 m -53.53 -46.42 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.14 -70.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -32.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -79.3 -39.26 33.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.01 -25.27 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.05 7.61 30.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.499 ' O ' HG11 ' A' ' 43' ' ' VAL . 22.9 tp -82.75 124.87 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.559 ' HA ' HG21 ' A' ' 43' ' ' VAL . 1.7 p -138.97 141.29 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -45.11 146.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.83 -11.21 27.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.768 ' OD2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -100.53 163.73 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 11.5 tttt -130.34 115.3 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 90' ' ' VAL . 6.8 mt -71.66 114.11 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.7 p -94.93 -21.76 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.0 tt0 -165.51 160.01 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.801 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.54 140.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.535 HD22 HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER 48.14 24.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 93.61 -37.03 3.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 121.52 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 137.25 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 ' CG1' ' A' ' 63' ' ' VAL . 18.4 mt -108.09 17.4 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.15 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.8 m -114.62 51.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 152.03 44.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -75.42 162.75 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.434 ' HA ' HD11 ' A' ' 38' ' ' ILE . 1.7 ttm -56.4 -57.16 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.22 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.16 -54.85 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HB2' HD22 ' A' ' 68' ' ' LEU . . . -52.29 -51.25 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 79' ' ' VAL . 66.3 t -59.25 -56.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.5 tttt -39.07 -30.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -89.83 -46.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 17.3 mt -59.95 -15.79 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' VAL . 15.3 t -110.61 5.24 20.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 83' ' ' SER . 4.6 t -134.91 89.93 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.1 125.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -75.46 -6.42 50.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 93.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.535 HD23 HD22 ' A' ' 64' ' ' ASN . 16.1 mt -83.91 143.06 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -124.56 89.41 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.591 ' CE ' HG21 ' A' ' 16' ' ' VAL . 24.6 mtm -90.61 142.61 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.668 ' HB3' HG23 ' A' ' 11' ' ' ILE . 43.1 mmm -125.4 114.73 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.768 HG21 ' OD2' ' A' ' 58' ' ' ASP . 27.8 m -102.76 155.52 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -106.21 105.19 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -92.1 145.25 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.3 m-70 -111.97 150.42 30.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.649 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.9 133.83 54.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' MET . 2.7 p -145.86 150.1 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -131.03 104.8 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 49' ' ' ALA . 42.2 t -99.99 118.45 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 6.45 59.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 20.2 p90 -138.0 158.81 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.72 129.27 55.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' CE ' ' A' ' 73' ' ' MET . 22.3 m -108.53 154.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -125.37 167.12 15.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.6 mm -107.98 137.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.78 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 59' ' ' LYS . 6.0 m-85 -133.48 143.13 48.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 54' ' ' LEU . 16.2 t -73.51 147.78 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.31 -48.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 158.2 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.99 114.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.84 149.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 138.08 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.55 32.78 10.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 170.58 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.06 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.2 t -67.96 -28.01 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.15 -58.51 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -30.44 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -86.09 -36.54 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.86 -23.14 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.13 -14.26 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.2 tp -63.07 142.12 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.725 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.5 174.59 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 108.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 138.48 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.72 -28.8 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB3' HG11 ' A' ' 90' ' ' VAL . 78.6 m-20 -52.56 156.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.602 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.57 102.8 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -69.45 117.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.8 p -101.33 -19.51 15.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.43 153.94 9.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 2.3 p -155.38 128.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 63' ' ' VAL . 4.2 m120 84.44 -42.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.78 -38.13 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -71.89 128.8 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' HD23 ' A' ' 68' ' ' LEU . 41.4 t -75.22 129.51 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.2 mt -105.48 42.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.79 -26.1 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -142.1 37.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -112.82 143.38 44.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -60.04 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.521 ' CE ' HG23 ' A' ' 28' ' ' VAL . 3.3 ttm -95.9 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.3 -67.76 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -42.43 -50.37 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.21 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 80' ' ' LEU . 95.7 t -54.69 -47.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -52.7 -45.76 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' SER . 60.8 t -70.37 -27.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.836 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -77.9 -13.62 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 p -106.37 5.58 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -125.78 69.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t 177.02 136.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 t -91.02 3.65 54.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.63 89.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.836 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.6 mp -84.46 134.94 34.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -123.96 90.44 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 14' ' ' VAL . 30.2 mtm -89.83 141.36 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 32.4 mmm -123.88 116.8 23.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 58' ' ' ASP . 33.2 m -102.8 158.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 HD11 ' A' ' 11' ' ' ILE . 1.9 mtp85 -112.9 111.81 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -92.94 142.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.51 ' O ' ' HE3' ' A' ' 89' ' ' MET . 5.6 m-70 -100.55 150.71 22.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.47 52.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.0 p -145.54 149.15 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -134.73 105.22 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 88' ' ' MET . 43.0 t -93.04 145.67 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -22.41 2.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 24' ' ' LEU . 30.1 p90 -120.74 159.97 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.85 140.27 50.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 73' ' ' MET . 27.8 m -114.53 156.67 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -141.0 166.59 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 ' SD ' ' A' ' 73' ' ' MET . 15.6 mm -90.64 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 49.6 m-85 -131.22 135.84 47.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.07 128.04 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.17 -54.56 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.84 168.55 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -143.49 106.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.39 123.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 148.93 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.45 51.01 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.6 p -108.94 166.06 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -28.19 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -66.97 -62.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -29.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -88.34 -34.82 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.92 -21.38 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.05 -12.37 9.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 14.9 tp -68.9 146.42 52.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.98 -171.28 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.16 146.68 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.18 -24.93 24.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB3' HG11 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -57.98 152.39 16.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 22.2 tttt -129.92 109.69 11.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.78 116.01 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.2 p -98.06 -19.23 18.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 21.7 tt0 -164.34 155.48 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 68' ' ' LEU . 1.3 p -150.52 139.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 1.6 t-20 48.34 24.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 94.46 -34.7 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.09 131.23 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -83.22 146.69 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 63' ' ' VAL . 23.7 mt -116.98 18.82 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.88 -42.78 57.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 p -124.71 54.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.37 153.58 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 p -71.04 139.28 50.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.627 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.3 tpp -43.63 -62.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.28 -60.77 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -39.6 -66.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -39.99 -51.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 81' ' ' THR . 64.3 t -61.01 -54.24 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -30.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.19 -45.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.734 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 14.7 mt -60.35 -33.32 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 77' ' ' VAL . 29.9 p -62.93 -33.89 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -107.14 -141.89 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.445 ' OG ' ' ND2' ' A' ' 64' ' ' ASN . 41.7 t 58.38 111.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -68.7 -8.13 39.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -156.58 95.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -83.83 130.01 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CD2' ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -117.93 87.67 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.514 ' HE1' HG21 ' A' ' 16' ' ' VAL . 9.4 mtm -91.4 143.69 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.665 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.4 mmm -129.26 117.01 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 58' ' ' ASP . 34.6 m -101.96 156.39 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -107.1 117.82 35.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -99.41 145.35 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.524 ' O ' ' HE2' ' A' ' 89' ' ' MET . 30.4 m-70 -115.11 137.85 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -105.01 136.33 44.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 88' ' ' MET . 2.2 p -145.57 153.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 5.3 mtm180 -134.26 108.51 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 93.7 t -104.86 138.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.717 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.73 60.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.8 p90 -135.79 154.38 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.31 137.11 41.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG23 ' HE3' ' A' ' 73' ' ' MET . 2.7 m -112.79 164.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -129.13 162.63 27.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 73' ' ' MET . 10.0 mm -123.73 142.93 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 20.9 m-85 -134.53 142.85 47.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG22 HD11 ' A' ' 60' ' ' ILE . 10.8 t -81.78 144.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.21 -50.29 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -136.79 155.43 49.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 32.6 t -135.94 105.82 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.27 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 145.97 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.09 24.35 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 163.5 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . 5.5 p -62.77 -26.91 68.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -67.45 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -30.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.74 -34.58 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 15' ' ' ARG . . . -63.69 -22.28 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.92 -12.39 8.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -69.74 152.14 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.33 -174.69 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 t -84.68 144.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.39 15.25 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 90' ' ' VAL . 79.7 m-20 -114.47 150.52 34.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 58.2 tttt -124.37 104.09 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 4.7 mt -71.96 116.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -98.39 -31.8 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 22.7 tt0 -148.39 154.39 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.791 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.7 t -147.4 152.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.506 ' CG ' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.0 30.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 87.18 -40.62 3.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.02 122.24 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -71.7 134.92 46.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 67' ' ' SER . 11.4 mt -115.08 38.52 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.31 -30.18 48.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -140.64 45.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 m -118.51 148.02 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.8 t -67.35 165.15 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.507 ' HE3' HG23 ' A' ' 28' ' ' VAL . 10.8 tpp -66.63 -61.32 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -38.11 -69.94 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 m -39.95 -57.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.68 36.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.959 ' O ' HG23 ' A' ' 81' ' ' THR . 93.4 t -69.99 -58.43 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -36.2 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -41.13 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.955 ' O ' HD21 ' A' ' 86' ' ' LEU . 6.2 mt -66.64 -10.5 46.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.959 HG23 ' O ' ' A' ' 77' ' ' VAL . 65.3 p -102.37 5.21 39.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.0 m -129.7 82.56 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 162.48 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -80.64 4.44 18.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -159.58 94.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.955 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.7 mp -83.82 118.07 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -101.89 87.74 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.791 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.0 mtm -90.41 136.12 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.524 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -114.23 116.49 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.0 m -105.22 156.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.63 107.47 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.33 148.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.645 ' HB2' HG22 ' A' ' 90' ' ' VAL . 7.7 m170 -110.49 128.84 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 130.21 47.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -146.29 148.39 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -130.72 106.96 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HE3' ' A' ' 88' ' ' MET . 99.5 t -97.65 152.55 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 80' ' ' LEU . 1.3 mm? . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -10.26 57.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CD2' ' CD2' ' A' ' 54' ' ' LEU . 17.2 p90 -124.7 148.33 48.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.09 130.0 37.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.28 159.39 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.09 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 73' ' ' MET . 39.6 mm -111.01 140.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 15.7 m-85 -132.93 144.64 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -85.06 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -51.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -129.79 160.81 32.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 54' ' ' LEU . 44.1 t -144.58 100.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.19 129.92 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.46 161.45 30.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 24.52 5.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 -178.17 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ALA . 61.3 p -76.34 -34.08 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.34 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -29.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -86.28 -36.12 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.77 -22.51 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.59 -11.27 10.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 15.0 tp -73.04 125.26 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.85 -169.98 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 18.1 t -87.6 149.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.06 46.03 5.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' HG11 ' A' ' 90' ' ' VAL . 2.5 m-20 -136.15 154.78 50.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 43.6 tttt -127.66 101.64 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.7 mt -69.17 114.73 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -95.81 -33.38 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' MET . 24.2 tt0 -142.85 152.73 42.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.5 t -145.11 144.06 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.7 35.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.85 -41.36 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' VAL . 3.3 mt -61.63 131.29 49.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.808 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -84.07 145.73 28.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 67' ' ' SER . 7.1 mt -127.13 36.87 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.5 -19.15 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -153.07 33.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.6 m -101.26 148.6 24.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 p -70.05 141.32 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.4 tpp -47.15 -58.82 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -70.21 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 m -39.35 -61.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.43 -46.66 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.825 ' O ' HG22 ' A' ' 81' ' ' THR . 88.2 t -64.6 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.404 ' C ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -51.09 -26.26 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.2 t -96.14 -42.66 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.874 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.3 mt -66.84 -10.45 48.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 77' ' ' VAL . 8.1 t -105.72 5.19 30.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 t -129.44 -147.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 14.4 m 52.97 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.9 m -117.03 -5.33 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 96.55 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -82.97 108.92 16.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -98.25 86.97 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.801 ' HG3' HG13 ' A' ' 63' ' ' VAL . 19.0 mtm -89.4 134.21 34.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.52 117.36 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.41 155.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -111.56 117.66 33.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.1 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 3.6 mm -75.37 140.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' MET . 10.9 m170 -101.28 158.29 16.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -115.33 138.06 51.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.95 148.2 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.575 ' CD ' ' CE1' ' A' ' 87' ' ' HIS . 7.0 mtm180 -128.43 111.04 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.59 138.59 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.0 3.54 60.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 3.7 p90 -136.63 -178.12 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 128.75 40.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.87 148.01 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -121.14 175.0 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.7 mm -86.68 143.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 59' ' ' LYS . 95.5 m-85 -127.07 138.32 53.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 t -81.56 126.42 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -54.48 3.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -132.1 169.11 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 54' ' ' LEU . 55.5 t -144.92 108.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.79 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.36 164.61 24.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.02 26.49 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.13 -178.35 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.4 m -77.41 -22.34 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -72.24 -69.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -31.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.79 -36.01 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 48' ' ' SER . . . -64.58 -20.58 66.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.64 -8.91 14.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 88' ' ' MET . 15.6 tp -70.92 129.43 39.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.34 -172.57 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 42' ' ' LYS . 6.5 t -84.22 146.77 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.44 -26.09 15.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -51.15 149.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 12.5 tttt -128.23 101.03 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 88' ' ' MET . 5.7 mt -67.48 111.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 91' ' ' ARG . 33.6 p -90.47 -23.06 21.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.2 tt0 -159.78 157.72 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.971 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.09 142.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.31 23.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.72 -38.24 3.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 124.8 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' HD23 ' A' ' 68' ' ' LEU . 29.2 t -78.36 140.66 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.971 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.4 mt -110.61 19.79 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.25 4.2 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -174.98 47.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.7 152.93 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 75' ' ' SER . 8.4 t -69.11 141.57 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.4 ttt -48.99 -51.44 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.53 -69.65 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.2 t -40.26 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.76 -42.41 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 81' ' ' THR . 96.4 t -70.33 -57.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.21 -31.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 75' ' ' SER . 23.1 t -84.41 -45.22 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.585 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 16.2 mt -61.32 -16.76 49.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.4 t -109.7 5.57 22.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.0 t -129.34 84.17 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 158.78 160.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -111.87 0.08 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.88 91.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.11 146.18 28.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.575 ' CE1' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -127.63 89.37 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -91.85 151.53 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -125.23 111.97 15.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.86 154.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.563 ' CZ ' HG21 ' A' ' 61' ' ' THR . 0.1 OUTLIER -110.16 156.05 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.92 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.72 ' O ' ' HE3' ' A' ' 89' ' ' MET . 10.2 m170 -110.83 154.73 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -119.0 135.56 54.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -145.88 149.47 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.34 105.09 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 49' ' ' ALA . 82.0 t -93.43 121.47 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.2 mm? . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.39 -8.96 40.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -128.29 157.2 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.47 131.58 55.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 38' ' ' ILE . 17.3 m -110.61 148.44 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -127.12 169.25 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' CE ' ' A' ' 73' ' ' MET . 12.0 mm -119.29 141.51 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 75.1 m-85 -122.97 139.73 53.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 t -78.71 123.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -55.22 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -137.9 167.84 20.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -145.58 109.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 131.44 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.42 160.29 31.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.95 30.8 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -101.0 179.63 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -74.29 -34.01 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -66.29 -62.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -30.58 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -34.09 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.83 -20.98 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.3 -13.35 9.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.7 tp -65.96 131.0 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.46 -177.21 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 42' ' ' LYS . 10.7 t -87.01 147.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.14 -28.7 10.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.2 m-20 -55.93 154.5 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 19.6 tttt -129.14 108.56 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 119.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.1 p -101.16 -21.87 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 25.2 tt0 -164.55 157.43 17.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.929 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.1 p -158.97 139.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.529 HD22 HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER 56.59 19.52 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.46 -40.73 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 120.66 11.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 135.08 38.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 63' ' ' VAL . 5.3 mt -111.82 46.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.68 -6.13 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 p -151.41 27.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.456 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -112.9 164.31 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -91.23 159.57 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.706 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.79 -56.48 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.43 -69.76 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -40.08 -60.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -48.12 -48.18 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 73' ' ' MET . 74.9 t -60.76 -43.27 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 81' ' ' THR . 4.0 mttt -51.46 -22.03 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.917 ' O ' HD21 ' A' ' 86' ' ' LEU . 43.9 t -97.02 -25.58 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.875 ' O ' HD21 ' A' ' 24' ' ' LEU . 16.1 mt -86.26 -12.44 49.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 77' ' ' VAL . 1.1 p -49.46 -52.68 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t 166.94 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -141.25 22.67 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER 86.61 -43.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.961 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -162.16 101.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.917 HD21 ' O ' ' A' ' 79' ' ' VAL . 16.1 mt -83.89 135.81 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.13 89.93 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.6 mtm -90.86 144.72 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.72 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 41.5 mmm -124.84 116.06 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.6 m -102.41 156.03 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -110.66 106.97 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 11' ' ' ILE . 5.3 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.0 mm -101.34 145.86 10.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.491 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.5 m170 -108.1 128.64 54.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.453 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -97.83 129.59 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -146.4 148.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -127.42 102.67 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.09 126.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.34 -13.16 35.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 54' ' ' LEU . 10.7 p90 -124.39 156.01 37.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.69 129.45 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' CE ' ' A' ' 73' ' ' MET . 30.2 m -112.58 144.07 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.36 161.8 18.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 24.2 mm -110.11 111.53 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 16.4 m-85 -105.26 139.66 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.51 139.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.553 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -118.96 -37.2 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.21 160.12 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.823 HG21 ' HA ' ' A' ' 55' ' ' CYS . 79.6 t -140.82 111.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.98 135.29 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.03 156.7 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.88 25.69 7.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 169.53 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.797 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -67.01 -35.91 80.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -53.31 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -46.27 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -66.25 -39.42 89.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.62 -25.46 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.62 -7.89 17.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 26' ' ' PHE . 29.2 tp -73.03 127.48 32.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.823 ' HA ' HG21 ' A' ' 43' ' ' VAL . 33.1 m -148.66 157.52 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -61.44 152.05 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 -4.8 56.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.99 161.18 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 8.6 tttt -128.78 110.46 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -71.72 111.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -92.5 -19.17 22.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 63' ' ' VAL . 29.4 tt0 -160.38 158.18 29.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.849 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -156.74 134.89 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.503 HD22 HD23 ' A' ' 86' ' ' LEU . 1.1 t-20 55.82 21.86 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.56 -41.34 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 119.81 8.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.452 ' C ' HD23 ' A' ' 68' ' ' LEU . 46.0 t -77.13 134.24 38.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.849 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.7 mt -114.48 36.81 3.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.66 4.27 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.49 40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.87 156.01 42.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.2 p -65.32 -172.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.0 ttm -91.73 -61.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -42.05 -64.8 1.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -38.87 -52.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 68' ' ' LEU . . . -59.64 -54.68 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 81' ' ' THR . 85.8 t -51.34 -44.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.29 -28.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.659 ' O ' HD21 ' A' ' 86' ' ' LEU . 71.0 t -96.44 -36.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.868 ' O ' HD21 ' A' ' 24' ' ' LEU . 5.5 mt -67.72 -15.83 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 77' ' ' VAL . 1.8 t -97.95 4.02 49.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -137.71 -148.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 82' ' ' SER . 75.5 m 59.3 120.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -61.15 -14.24 23.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -162.67 106.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.659 HD21 ' O ' ' A' ' 79' ' ' VAL . 14.0 mt -83.83 143.12 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -123.35 88.94 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.599 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 63' ' ' VAL . 22.0 mtm -89.82 146.95 24.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' MET . . . . . 0.487 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.2 mmt -130.63 112.67 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 12' ' ' HIS . 34.8 m -102.43 157.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -112.1 120.73 42.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -109.33 119.17 38.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 m -99.05 147.88 24.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.89 167.43 25.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.73 132.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.58 0.812 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 m 60.79 160.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.63 -166.98 4.41 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.4 t -168.4 162.83 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.91 134.38 55.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.99 157.53 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.82 147.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.647 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.0 m170 -104.62 141.6 36.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.15 129.52 55.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.32 149.98 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -130.68 105.13 7.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG21 ' CE ' ' A' ' 88' ' ' MET . 53.6 t -96.55 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.31 164.8 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 171.29 13.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.31 160.27 62.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.03 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -60.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.06 145.52 32.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.273 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.47 136.01 8.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -38.81 156.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.337 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -41.05 157.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.39 -19.45 8.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.653 ' HB3' HD23 ' A' ' 54' ' ' LEU . 13.3 p90 -122.45 154.9 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.733 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 125.89 51.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.658 HG23 ' CE ' ' A' ' 73' ' ' MET . 5.9 m -107.88 153.82 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.6 ptt85 -128.74 150.94 50.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.22 174.02 48.48 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.6 -135.69 2.16 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.2 t -94.76 105.77 17.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -174.8 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.48 -50.36 6.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.608 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.96 65.19 0.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.031 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 39' ' ' PHE . 1.2 pp -128.12 -45.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' HD13 ' A' ' 38' ' ' ILE . . . 120.48 -132.61 9.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.458 HG23 ' HB ' ' A' ' 28' ' ' VAL . 36.4 mm -123.59 121.21 61.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 15.7 m-85 -120.25 142.23 49.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG21 HD11 ' A' ' 54' ' ' LEU . 7.0 t -79.46 141.25 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -119.94 -51.57 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.5 OUTLIER -134.13 163.85 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.02 108.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -39.04 152.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.81 147.66 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.55 34.72 5.18 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.31 178.4 5.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.51 -29.3 61.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.66 13.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.35 -33.77 44.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.93 -35.57 28.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.77 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -6.72 18.81 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 26' ' ' PHE . 21.8 tp -73.76 129.89 38.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.82 -178.65 5.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 9.5 t -81.15 139.71 17.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.8 40.36 3.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -145.14 155.49 43.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.749 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.578 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 2.2 tttt -128.45 120.32 26.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -77.37 114.62 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 72.1 p -92.69 -31.15 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -152.61 155.88 38.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.808 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.2 p -156.19 144.1 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.247 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.784 HD22 HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER 47.49 24.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.68 -33.83 4.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.4 124.01 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.482 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -79.66 131.87 36.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.003 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.3 mt -115.65 43.14 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -90.6 -13.87 33.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.29 42.51 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.05 160.14 22.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.355 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 t -80.13 157.48 26.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.658 ' CE ' HG23 ' A' ' 28' ' ' VAL . 20.1 tpp -59.25 -56.65 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.59 -69.95 0.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -40.44 -52.9 2.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.44 -53.54 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' THR . 69.9 t -49.03 -55.5 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 82' ' ' SER . 1.8 tttt -44.43 -69.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.528 ' O ' HD21 ' A' ' 86' ' ' LEU . 38.3 t -52.23 -40.06 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.777 ' O ' HD21 ' A' ' 24' ' ' LEU . 9.2 mt -60.76 -30.24 69.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 77' ' ' VAL . 9.2 t -106.06 5.86 30.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -119.3 84.47 2.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 110.038 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.8 t 160.41 156.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -104.59 -5.03 21.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.23 90.13 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.784 HD23 HD22 ' A' ' 64' ' ' ASN . 7.6 mt -84.46 143.67 29.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.35 88.58 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.561 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.493 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -93.29 141.05 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 11' ' ' ILE . 27.8 mmm -127.32 120.33 28.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.647 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.98 159.94 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -112.46 114.86 27.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.69 144.2 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.12 -10.16 13.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.11 -173.51 14.79 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.12 167.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 0.766 . . . . 0.0 110.047 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -142.64 96.3 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.3 m -133.74 157.98 44.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.83 156.56 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 p -43.38 140.09 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 p -69.8 172.66 7.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.75 -112.05 3.66 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -128.59 98.26 4.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 0.74 . . . . 0.0 109.975 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t -166.61 156.37 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.85 125.81 8.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.81 161.7 27.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.72 108.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.598 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.3 mp -67.22 158.48 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.619 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -95.04 150.12 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.659 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.3 m170 -113.39 137.62 51.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.89 128.71 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.3 p -145.75 149.05 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -128.36 102.92 6.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG21 ' CE ' ' A' ' 88' ' ' MET . 68.3 t -95.55 130.26 44.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -94.17 147.18 23.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -79.01 160.32 27.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.3 p -151.25 147.78 21.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.76 5.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 -61.69 0.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 142.77 -66.82 0.46 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -83.95 121.34 27.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 0.73 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.883 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -44.02 157.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.16 -16.22 18.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.705 ' HB3' HD23 ' A' ' 54' ' ' LEU . 12.2 p90 -123.69 155.79 37.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.89 131.88 54.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 38' ' ' ILE . 15.9 m -108.69 155.58 9.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -126.86 157.46 39.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.59 -91.87 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.09 -178.8 39.12 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.83 174.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 0.746 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 63.31 158.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 57.95 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.594 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.21 73.59 0.71 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD12 ' N ' ' A' ' 37' ' ' GLY . 4.4 pp -112.71 -45.72 3.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.599 ' N ' HD12 ' A' ' 36' ' ' LEU . . . 111.9 -135.41 12.75 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 20.2 mm -123.79 129.74 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 14.6 m-85 -127.43 141.28 51.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 t -79.5 142.86 13.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.7 -49.11 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.949 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 4.1 tmtt? -133.14 166.1 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -144.33 111.76 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.42 144.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.326 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.8 145.47 50.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.87 40.57 5.48 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.08 162.46 13.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' ALA . 19.1 p -57.72 -32.58 67.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -61.01 -63.94 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.17 -36.37 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.4 mtt180 -81.04 -35.45 31.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.706 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.5 -21.61 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.69 -7.61 19.9 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.705 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.3 tp -70.93 128.16 35.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.35 -173.8 3.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.324 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 41' ' ' SER . 4.0 t -87.4 138.87 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 98.2 34.38 5.38 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.498 ' HB3' HG11 ' A' ' 90' ' ' VAL . 25.7 m-20 -129.7 151.11 50.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.255 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 11.4 tttt -126.57 111.03 13.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.6 mt -71.54 111.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.6 p -90.0 -24.61 21.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -157.56 155.5 30.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.694 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.6 p -157.93 140.62 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.72 HD22 HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 56.82 18.66 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.73 -35.91 3.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.47 123.88 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.549 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -77.32 132.59 38.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.0 mt -113.22 31.71 6.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -76.77 -12.41 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.1 t -151.95 30.06 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 22.3 m -105.85 160.0 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.417 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.0 p -78.9 -165.8 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 24.7 ttm -98.31 -51.73 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.24 -61.26 4.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -56.32 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.025 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.11 -51.64 51.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 73' ' ' MET . 40.8 t -48.51 -57.79 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -42.36 -69.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.474 ' O ' HD21 ' A' ' 86' ' ' LEU . 26.4 t -52.44 -38.67 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.883 ' O ' HD21 ' A' ' 24' ' ' LEU . 7.8 mt -62.62 -26.79 68.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 78' ' ' LYS . 9.4 t -110.04 5.88 22.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.386 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' LYS . 3.8 m -123.32 77.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.3 t 176.23 154.35 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.37 -12.49 19.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -156.06 91.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.72 HD23 HD22 ' A' ' 64' ' ' ASN . 6.7 mt -83.87 144.87 28.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -126.58 89.72 3.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.591 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.566 ' CE ' HG21 ' A' ' 16' ' ' VAL . 30.9 mtm -91.28 142.03 28.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.619 ' HB3' HG23 ' A' ' 11' ' ' ILE . 30.6 mmm -128.91 120.71 26.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 12' ' ' HIS . 28.8 m -103.05 166.35 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -120.1 101.65 7.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.243 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.2 ttt-85 -107.38 144.35 34.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.7 mmm -66.42 162.9 19.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.4 -91.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.5 t -64.24 -61.06 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.79 109.36 0.11 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.61 9.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.528 1.804 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.54 98.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.4 p -73.91 151.43 40.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.009 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.535 1.147 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.9 103.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.75 -60.92 1.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.04 119.94 0.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -114.73 73.53 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 110.036 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -129.9 -54.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.08 119.84 1.8 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 p -137.38 150.81 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' O ' ' NH1' ' A' ' 91' ' ' ARG . 4.3 m-20 -58.93 112.45 1.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.582 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.3 mp -68.43 157.97 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.2 mm -95.79 140.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.525 ' O ' ' HE2' ' A' ' 89' ' ' MET . 16.0 m-70 -112.31 146.89 37.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.38 133.71 51.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.039 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.6 p -144.91 150.03 16.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 10.9 mtm180 -131.42 102.4 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.244 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -98.8 138.84 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -114.52 153.31 30.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -76.46 154.75 34.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -147.28 150.85 39.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 60.61 5.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.39 -56.3 1.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.67 -82.34 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.94 141.77 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 0.781 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.919 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -45.77 156.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -11.99 35.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.709 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 5.2 p90 -127.36 159.42 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.2 124.34 50.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 110.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.77 147.11 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -114.18 161.92 17.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.81 138.77 0.79 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -173.35 69.54 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.0 p 176.49 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.22 -70.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -56.58 15.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.13 67.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.49 179.23 8.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.44 -157.65 22.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.651 HD12 ' SD ' ' A' ' 73' ' ' MET . 26.2 mm -79.61 154.55 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 19.5 m-85 -136.25 150.38 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.28 131.44 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.3 t -107.48 -52.65 2.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 167.52 15.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG12 ' HG3' ' A' ' 50' ' ' GLU . 56.0 t -144.53 109.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.69 128.75 21.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.138 . . . . 0.0 110.255 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -71.24 163.5 27.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.5 27.58 1.3 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.23 -179.92 4.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.9 p -77.75 -25.01 48.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -68.51 -68.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.551 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -45.02 -27.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -88.45 -35.7 16.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 15' ' ' ARG . . . -64.11 -21.64 66.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.47 -10.17 11.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.594 HD23 ' CB ' ' A' ' 26' ' ' PHE . 13.4 tp -71.95 129.91 39.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 0.8 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -137.46 -172.42 3.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 108.285 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' SER . 20.0 t -82.65 142.12 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.64 37.06 7.6 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -120.83 153.97 36.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 8.9 tttt -128.81 107.66 9.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.486 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.9 mt -73.1 116.31 15.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 71.1 p -100.54 -31.28 11.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' MET . 21.7 tt0 -143.78 153.52 42.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.726 HG22 ' CG ' ' A' ' 88' ' ' MET . 94.8 t -151.72 123.52 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.522 HD22 HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 64.23 19.27 11.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.91 -34.82 5.07 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.93 130.69 43.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.468 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -84.66 131.66 34.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.468 HD23 ' C ' ' A' ' 67' ' ' SER . 4.9 mt -114.16 45.14 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -82.21 1.2 37.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 p -179.09 67.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 t -141.43 153.6 45.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.531 HG23 ' HB2' ' A' ' 75' ' ' SER . 1.8 t -59.9 139.93 57.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.651 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.5 tpp -53.42 -57.36 10.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.09 -65.32 0.7 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.11 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.531 ' HB2' HG23 ' A' ' 72' ' ' THR . 2.1 m -39.85 -63.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 110.029 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -42.88 -49.8 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.457 ' C ' ' N ' ' A' ' 79' ' ' VAL . 75.0 t -61.72 -56.78 15.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -39.93 -29.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.457 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -90.2 -45.96 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.919 ' C ' HD21 ' A' ' 24' ' ' LEU . 4.5 mt -58.58 -16.46 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.478 ' N ' HD21 ' A' ' 24' ' ' LEU . 9.8 t -107.94 5.53 26.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 1.2 t -129.69 85.67 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.7 t 159.62 138.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t -89.64 -2.61 58.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -162.69 88.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD23 HD22 ' A' ' 64' ' ' ASN . 6.4 mt -84.47 145.02 28.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -118.62 89.61 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.616 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.726 ' CG ' HG22 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -100.63 148.86 24.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 111.052 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -129.39 119.54 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.6 m -102.44 153.54 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' NH1' ' O ' ' A' ' 9' ' ' ASP . 69.5 mtt-85 -111.53 111.48 22.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.17 131.57 23.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.4 mmm -71.33 173.91 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.03 110.36 0.5 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.31 169.47 15.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.48 156.37 9.23 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.67 22.1 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.759 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -128.92 -58.26 1.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.078 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.6 t 59.62 114.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.067 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -161.69 142.13 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 0.761 . . . . 0.0 110.031 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 73.57 -58.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.6 105.94 0.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -141.87 160.34 40.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 110.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.76 157.2 21.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.037 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.34 164.29 36.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m 61.94 169.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.79 155.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -127.77 156.67 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.596 HD11 ' NH1' ' A' ' 91' ' ' ARG . 2.8 mm -92.64 152.61 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.496 ' HB2' HG22 ' A' ' 90' ' ' VAL . 13.5 m-70 -118.36 136.26 53.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.632 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.445 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.6 OUTLIER -99.72 128.98 45.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.996 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.8 p -145.9 150.54 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.555 HH21 ' NE ' ' A' ' 85' ' ' ARG . 23.1 mtp180 -133.79 105.76 6.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG21 ' CE ' ' A' ' 88' ' ' MET . 70.7 t -98.93 124.68 52.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.3 151.68 22.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.52 131.96 35.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 m -120.59 136.97 25.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 82.37 2.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -143.92 -60.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.01 132.66 2.6 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.53 1.144 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 61.57 145.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 110.256 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -51.06 157.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.95 -7.89 45.81 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.538 1.149 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 4.3 p90 -128.66 155.29 45.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.69 126.14 50.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG23 ' CE ' ' A' ' 73' ' ' MET . 15.9 m -108.68 149.72 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -117.29 156.85 27.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.0 -154.96 17.72 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.81 -67.96 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 t -97.24 -75.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -47.63 112.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 60.55 107.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.581 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -40.16 -89.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.4 mt 50.9 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -96.87 -160.81 31.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 73' ' ' MET . 33.8 mm -95.43 128.29 46.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 0.792 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.559 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 44.7 m-85 -119.89 141.64 49.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.533 HG21 HD11 ' A' ' 54' ' ' LEU . 18.2 t -80.79 146.53 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.53 -47.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 38.8 tptt -139.4 156.88 46.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 43.0 t -138.06 107.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.35 145.45 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.21 147.88 36.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 28.0 10.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.91 179.61 5.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 109.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.4 m -75.88 -30.86 59.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -62.08 -65.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.38 -27.87 0.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -87.1 -36.43 18.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.704 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.87 -22.78 67.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.31 -3.24 18.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.533 HD11 HG21 ' A' ' 40' ' ' VAL . 26.7 tp -73.61 132.17 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.01 -178.9 4.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.7 t -88.08 139.95 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.52 -4.92 62.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -72.08 159.19 34.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.559 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 35.2 tttt -128.35 103.27 7.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 40' ' ' VAL . 5.1 mt -72.85 120.2 21.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 53.0 p -103.56 -17.76 15.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.3 tt0 -160.68 158.77 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.848 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.73 136.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.17 21.7 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.59 -43.49 1.97 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.31 122.41 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.87 135.07 35.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.848 HD11 ' CG1' ' A' ' 63' ' ' VAL . 13.4 mt -107.77 37.62 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.06 -0.9 57.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.69 34.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.25 155.11 43.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 44.7 p -67.99 -164.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.369 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.542 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.8 ttm -94.77 -51.68 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.96 -64.74 2.31 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.5 OUTLIER -38.43 -61.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.773 . . . . 0.0 110.044 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.659 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -44.08 -47.66 8.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 80' ' ' LEU . 65.8 t -66.31 -60.78 2.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.96 -35.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' SER . 58.1 t -79.65 -45.21 23.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 86' ' ' LEU . 1.6 mt -59.93 -31.09 69.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.9 p -87.19 5.27 38.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 83' ' ' SER . 8.2 t -134.06 90.92 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.985 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.4 OUTLIER 159.28 142.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.037 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m -97.25 33.04 2.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.555 ' NE ' HH21 ' A' ' 15' ' ' ARG . 6.1 mtp180 169.4 101.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.033 HD23 HD23 ' A' ' 80' ' ' LEU . 1.1 mp -93.51 131.24 38.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.463 ' NE2' ' SD ' ' A' ' 89' ' ' MET . 3.4 t-80 -119.34 89.77 3.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.613 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.612 ' CE ' HG21 ' A' ' 16' ' ' VAL . 6.2 mtm -89.99 147.61 23.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.463 ' SD ' ' NE2' ' A' ' 87' ' ' HIS . 1.4 mmt -131.46 115.28 15.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.6 m -102.76 158.09 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.596 ' NH1' HD11 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -114.23 100.97 8.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.279 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -102.58 139.76 37.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.1 ptp -86.23 172.14 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.41 -90.21 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.5 168.09 19.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.9 76.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.22 -60.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 92.6 p 47.69 84.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.962 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -110.4 148.09 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m 62.72 135.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.57 -125.15 3.04 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m 63.52 147.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 0.735 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -78.01 147.39 34.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.32 -148.13 21.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m 63.03 82.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 0.733 . . . . 0.0 109.983 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.6 95.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.451 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.8 mp -67.81 159.48 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.552 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -97.88 141.43 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.4 m-70 -99.98 140.75 33.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.6 127.46 53.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.972 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.0 p -145.74 147.1 18.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 4.7 mtm180 -130.02 103.4 6.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.23 118.9 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.11 164.34 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -82.18 153.19 26.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 24.7 m -153.53 135.16 8.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' SER . 18.3 Cg_endo -74.96 101.19 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.81 -58.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 146.77 -64.43 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.38 131.08 46.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -41.03 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.43 -15.29 23.72 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 11.7 p90 -124.61 158.58 32.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.97 128.69 55.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.653 HG23 ' HE3' ' A' ' 73' ' ' MET . 7.0 m -107.85 156.83 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ptt-85 -126.6 165.27 19.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.49 -149.46 28.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 142.05 -154.44 24.94 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.84 179.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.756 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 60.38 170.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 33' ' ' GLU . 21.3 m-70 70.2 -61.18 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' GLU . . . 110.76 58.72 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 pp -141.29 167.76 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -92.37 -168.94 40.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.673 HD12 ' SD ' ' A' ' 73' ' ' MET . 50.2 mm -89.75 128.61 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.735 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -119.97 161.08 21.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 t -93.44 147.93 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -125.32 -48.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 21.4 tptm -140.25 153.3 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 42.9 t -134.83 105.65 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 125.65 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -61.07 159.08 12.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 43.95 36.64 3.86 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 p -108.73 -178.02 3.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' ALA . 4.7 m -71.15 -36.13 71.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -62.2 -72.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.71 -32.99 1.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -77.67 -39.64 44.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.18 -23.53 67.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.88 -2.28 17.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.0 tp -70.79 128.37 35.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.2 p -119.7 179.99 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 t -91.06 138.71 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 25.13 14.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.967 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.9 m-20 -103.5 164.8 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 tttt -130.0 108.17 9.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.464 ' CG2' HG23 ' A' ' 63' ' ' VAL . 8.6 mt -75.73 118.57 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 69.9 p -100.93 -23.56 14.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.428 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 20.0 tt0 -157.72 156.86 32.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.747 HG13 ' HG3' ' A' ' 88' ' ' MET . 82.5 t -153.53 126.79 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.48 24.95 7.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.25 -47.28 1.48 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.73 124.82 14.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.2 t -83.39 122.95 29.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.026 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 71' ' ' THR . 12.2 mt -102.71 43.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -90.28 -12.59 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -167.72 55.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.556 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -129.06 151.61 49.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.436 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 75' ' ' SER . 2.2 t -67.47 136.5 54.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.362 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.673 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.4 tpp -44.22 -49.37 9.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.954 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.07 -70.21 0.6 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.7 m -40.11 -60.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -45.75 -45.27 14.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 73' ' ' MET . 99.1 t -65.84 -57.44 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -44.0 -39.88 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 75' ' ' SER . 46.3 t -79.89 -45.02 23.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 86' ' ' LEU . 5.8 mt -60.15 -19.33 53.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 77' ' ' VAL . 12.0 t -109.3 5.29 23.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.6 t -130.08 81.79 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.02 144.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.451 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . 34.3 m -94.8 7.02 47.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.155 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -166.73 97.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.904 HD23 HD23 ' A' ' 80' ' ' LEU . 1.3 mp -88.15 123.64 33.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -110.41 87.98 2.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.59 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.747 ' HG3' HG13 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -97.17 142.89 28.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.552 ' HB3' HG23 ' A' ' 11' ' ' ILE . 31.7 mmm -133.45 122.27 23.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.5 m -101.71 159.06 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.1 mtt85 -107.88 101.91 11.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.34 145.29 31.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.37 177.31 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 37.99 -152.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.429 1.08 . . . . 0.0 111.024 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.03 129.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.783 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.55 157.16 19.57 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.482 1.113 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 169.8 21.82 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.79 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 m -48.74 141.53 7.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.981 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.0 m 60.87 167.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 p -81.6 170.23 16.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -138.47 -57.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.43 -158.95 13.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.32 -57.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.76 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -172.31 168.96 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.03 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 169.5 18.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.71 71.4 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 0.741 . . . . 0.0 109.966 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -178.77 90.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.4 mp -85.85 155.32 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.85 144.14 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.622 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m-70 -109.36 134.1 52.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.623 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.452 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.5 OUTLIER -98.72 126.98 44.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.996 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.1 p -145.17 147.89 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 5.2 mtt180 -131.65 103.82 6.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -92.03 139.84 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 167.67 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -72.44 120.56 18.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.1 p -89.93 153.36 47.22 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.034 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 161.95 37.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.8 104.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.17 42.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.88 165.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 0.754 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD21 ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -62.78 153.59 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.57 -14.22 34.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.663 ' CZ ' HD13 ' A' ' 80' ' ' LEU . 11.4 p90 -123.21 155.32 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.74 126.9 53.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.461 HG23 ' CE ' ' A' ' 73' ' ' MET . 11.8 m -108.72 157.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.2 ptt-85 -124.44 163.75 21.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.54 -154.89 17.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.87 -89.5 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.5 m -125.85 -54.27 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -46.67 158.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 70.15 -60.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.623 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 33' ' ' GLU . . . 95.91 96.69 1.78 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.06 156.5 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.02 -158.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 73' ' ' MET . 30.3 mm -95.6 131.05 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 0.0 109.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.599 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 13.3 m-85 -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.04 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.44 147.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -126.31 -50.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.77 157.34 47.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.96 102.1 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.56 128.5 3.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -65.26 165.81 10.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 38.56 34.02 0.23 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -104.18 -178.08 3.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 110.039 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.6 p -75.74 -35.27 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 110.027 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -63.18 -64.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.1 -40.57 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.45 -36.07 58.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.37 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.86 -13.79 10.61 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.417 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.9 tp -67.67 128.52 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 -174.07 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 4.0 t -89.85 140.75 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.27 23.7 8.34 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -129.02 159.65 35.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.599 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.28 124.53 32.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -81.23 111.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.579 HG22 ' CD ' ' A' ' 59' ' ' LYS . 43.8 p -94.13 -19.23 20.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.446 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -156.94 153.64 28.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.903 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -160.65 134.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.831 HD22 HD23 ' A' ' 86' ' ' LEU . 1.4 t-20 65.13 11.82 7.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.9 -31.93 7.85 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HA ' HD23 ' A' ' 66' ' ' LEU . 2.9 mt -74.14 136.75 42.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.07 141.95 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.903 HD11 ' CG1' ' A' ' 63' ' ' VAL . 12.8 mt -118.21 36.68 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -86.68 -10.29 54.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 p -151.69 38.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.64 152.87 47.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.415 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.3 t -64.78 -171.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.461 ' CE ' HG23 ' A' ' 28' ' ' VAL . 6.6 ttm -90.52 -61.75 1.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.02 -66.23 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.117 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.9 t -39.79 -54.12 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.4 61.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 80' ' ' LEU . 92.6 t -56.27 -52.79 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -44.0 -43.37 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 75' ' ' SER . 62.1 t -70.91 -38.59 73.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 67.7 mt -69.03 -17.92 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 77' ' ' VAL . 16.7 p -100.6 4.86 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -137.04 92.34 2.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.969 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.57 131.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.997 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.9 t -88.03 6.22 37.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.2 91.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.831 HD23 HD22 ' A' ' 64' ' ' ASN . 16.9 mt -87.08 142.52 27.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -123.15 89.73 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.592 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.41 ' HG2' ' CG2' ' A' ' 63' ' ' VAL . 17.0 mtm -90.6 147.61 23.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.567 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.9 OUTLIER -130.13 115.58 17.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.622 HG22 ' HB2' ' A' ' 12' ' ' HIS . 32.2 m -102.43 158.48 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -117.21 103.66 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 33.7 ttt-85 -116.55 139.29 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 ptp -106.51 171.33 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.22 72.56 2.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.32 169.05 14.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 0.789 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -56.05 -168.08 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -53.64 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -172.84 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.2 m -123.37 162.67 22.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.154 . . . . 0.0 110.951 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -66.0 168.78 7.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.968 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -164.55 156.07 15.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.82 -179.21 27.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.139 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -110.83 -57.88 2.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.45 146.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.93 166.61 14.57 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.2 p -95.34 -54.03 3.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.952 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.67 137.0 20.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.24 159.4 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.602 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.0 mm -87.28 148.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.532 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.6 m170 -105.1 142.6 34.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.614 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.6 125.92 53.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 52' ' ' ALA . 5.7 p -145.28 146.04 20.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -124.43 103.59 8.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG21 ' CE ' ' A' ' 88' ' ' MET . 64.7 t -99.13 157.45 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -117.34 154.38 31.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.4 172.05 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.99 132.47 11.83 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.018 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 18.3 Cg_endo -75.07 94.35 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.8 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 20' ' ' PRO . . . 178.35 -60.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.61 53.33 0.17 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.15 97.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.78 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.622 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.1 mm? -44.82 154.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.92 -12.11 40.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.9 p90 -124.82 155.1 39.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.89 129.41 55.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 110.001 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.1 m -110.1 154.25 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -122.88 153.35 39.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.36 -147.5 17.89 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.12 64.66 3.17 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.15 87.87 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 110.012 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 74.71 -63.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.8 m170 -46.32 -65.52 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 36' ' ' LEU . . . 121.58 -85.04 0.38 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 37' ' ' GLY . 3.9 pp 42.8 -167.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.623 ' O ' HD13 ' A' ' 38' ' ' ILE . . . -95.29 -134.21 7.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.623 HD13 ' O ' ' A' ' 37' ' ' GLY . 28.3 mm -131.37 116.97 34.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 32.6 m-85 -112.22 137.59 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 t -74.84 147.19 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.43 -49.75 1.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.3 tptt -139.86 153.57 47.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.732 HG12 ' HG3' ' A' ' 50' ' ' GLU . 63.5 t -133.31 106.87 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.94 140.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' SER . 5.5 mm-40 -78.48 170.25 16.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.81 30.2 0.06 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' GLU . 9.5 p -104.33 177.78 4.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 0.753 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.6 t -76.16 -29.88 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.57 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.732 ' HG3' HG12 ' A' ' 43' ' ' VAL . 2.0 mt-10 -43.86 -33.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -35.46 24.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.94 -19.68 65.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.35 -11.23 16.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.46 1.1 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.597 ' O ' HG11 ' A' ' 43' ' ' VAL . 15.6 tp -72.37 130.61 41.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.542 ' CA ' HG21 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -151.92 179.01 8.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.269 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 76.7 t -72.19 142.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.1 39.75 4.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB3' HG11 ' A' ' 90' ' ' VAL . 31.0 m-20 -139.18 152.6 47.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.562 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 49.8 tttt -129.17 104.99 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.432 ' HA ' HG12 ' A' ' 90' ' ' VAL . 7.9 mt -66.92 113.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.4 p -91.98 -31.71 15.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 22.2 tt0 -153.65 155.36 35.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.822 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.4 p -156.52 142.84 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.07 21.6 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.9 -37.24 3.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 124.85 21.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.341 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.545 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -81.29 127.2 32.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.822 HD11 ' CG1' ' A' ' 63' ' ' VAL . 4.8 mt -109.67 48.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.09 11.38 30.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m 170.44 48.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.455 HG21 HD22 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -119.64 162.01 19.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 p -77.85 141.64 39.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.471 ' O ' HG23 ' A' ' 77' ' ' VAL . 16.2 ttm -46.47 -60.86 2.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.84 -66.39 0.89 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 m -39.37 -63.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.015 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.01 -53.85 9.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.671 ' O ' HG22 ' A' ' 81' ' ' THR . 97.7 t -55.49 -50.19 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -30.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -90.24 -44.02 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.622 ' C ' HD21 ' A' ' 24' ' ' LEU . 32.3 mt -61.84 -13.73 26.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.8 t -108.89 -8.08 15.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.2 t -122.27 89.42 3.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.4 m 159.45 129.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m -91.12 22.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.961 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.31 84.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 80' ' ' LEU . 11.7 mt -85.04 140.69 30.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -121.57 89.69 3.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.629 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.477 ' CE ' HG21 ' A' ' 16' ' ' VAL . 17.7 mtm -91.33 143.15 26.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.602 ' HB3' HG23 ' A' ' 11' ' ' ILE . 42.3 mmm -128.43 117.31 21.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.9 m -102.72 157.31 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -109.81 119.13 38.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.14 146.7 46.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.8 ptm -110.34 -9.81 14.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 113.96 98.03 2.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.108 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.02 146.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.15 119.23 1.06 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.14 41.64 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -153.09 139.16 18.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 180.0 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.01 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 t -128.78 123.17 32.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -107.51 147.43 30.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.92 -83.21 1.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.79 -57.42 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.981 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 p 178.25 -63.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.05 83.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -63.43 1.31 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 0.779 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.1 99.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.5 mt -128.62 161.46 37.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.583 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.8 mm -92.46 151.24 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.584 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -108.51 137.67 46.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.58 129.1 55.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.5 p -145.61 149.32 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.0 104.88 7.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.7 t -96.66 117.58 41.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -81.69 156.03 25.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 ptmt -72.19 121.99 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -105.93 155.69 37.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.51 5.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.456 1.767 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.54 169.82 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.72 -56.43 2.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 mtt85 -91.73 146.85 23.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.018 HD21 ' O ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -52.0 156.71 1.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.85 -15.71 21.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.9 p90 -126.05 154.55 42.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.06 132.84 51.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.436 HG23 ' CE ' ' A' ' 73' ' ' MET . 4.1 m -112.33 155.82 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.27 157.15 42.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.9 -141.14 17.58 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.03 97.54 2.41 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t 45.23 85.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -133.18 -48.9 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.71 21.77 4.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.57 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.43 45.86 5.42 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.9 mt -122.27 178.54 4.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.51 -150.06 24.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.598 HD12 ' SD ' ' A' ' 73' ' ' MET . 20.7 mm -98.58 137.02 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 25.6 m-85 -122.03 158.38 29.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 t -93.7 147.27 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.57 -49.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 3.5 tptt -137.71 155.46 49.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.524 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.1 t -138.61 103.1 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.52 123.84 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -65.21 162.91 16.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 46.26 28.11 3.03 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.5 p -105.46 -178.64 3.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.773 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -72.79 -34.29 66.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.61 -70.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -30.49 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -80.82 -39.9 25.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.33 -22.04 66.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 118.74 -10.93 12.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 26' ' ' PHE . 14.4 tp -68.52 126.14 28.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.89 -171.31 2.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 6.6 t -89.01 142.15 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.35 42.72 4.82 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.553 ' HB3' HG11 ' A' ' 90' ' ' VAL . 7.7 m-20 -126.13 159.24 33.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.575 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.3 tttt -130.23 97.62 4.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.4 mt -69.71 114.34 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.5 p -94.23 -33.05 13.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.383 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 18.8 tt0 -146.49 154.64 41.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.852 HG13 ' HG3' ' A' ' 88' ' ' MET . 17.3 t -143.11 145.39 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.6 OUTLIER 38.32 32.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 89.26 -43.9 3.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.0 120.63 8.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.9 t -74.01 131.01 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 34.9 mt -108.69 31.5 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 2.4 mt-10 -86.21 100.51 12.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER 84.8 26.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -102.67 148.06 26.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.393 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.8 t -63.6 165.37 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.416 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 38' ' ' ILE . 2.7 tpp -74.54 -54.79 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -69.91 0.44 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -41.04 -54.67 2.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.764 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.59 -55.89 19.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 81' ' ' THR . 73.7 t -45.48 -51.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 81' ' ' THR . 0.3 OUTLIER -45.88 -71.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 t -52.76 -39.16 29.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.018 ' O ' HD21 ' A' ' 24' ' ' LEU . 10.0 mt -61.88 -26.25 68.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 78' ' ' LYS . 12.3 t -110.79 6.21 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.42 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 7.2 t -126.71 94.69 4.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 159.8 166.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.019 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.29 -5.2 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -156.06 87.65 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.686 HD23 HD23 ' A' ' 80' ' ' LEU . 5.3 mp -83.75 127.13 33.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 88.05 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.633 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.852 ' HG3' HG13 ' A' ' 63' ' ' VAL . 32.8 mtm -90.49 134.37 34.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.583 ' HB3' HG23 ' A' ' 11' ' ' ILE . 23.5 mmm -122.4 119.6 31.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG22 ' HB2' ' A' ' 12' ' ' HIS . 30.8 m -102.54 157.9 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -111.75 108.63 18.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -105.76 139.72 39.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.257 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.3 ptp -121.07 131.55 54.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 70.05 168.62 6.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.147 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.3 t -169.53 147.7 3.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -167.61 -87.04 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 155.13 42.82 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 177.26 118.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 t -131.31 145.19 51.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.15 . . . . 0.0 109.948 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -106.19 152.51 23.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.37 -58.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 -162.45 14.61 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -144.69 -57.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.769 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.01 156.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.6 94.93 0.16 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.99 -62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 0.728 . . . . 0.0 109.994 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -82.18 118.29 22.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -132.54 160.71 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -95.2 142.39 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 90' ' ' VAL . 8.2 m170 -101.21 126.32 47.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.608 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.444 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.6 128.19 41.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.96 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.59 150.81 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -134.91 109.44 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.59 ' CG2' ' CE ' ' A' ' 88' ' ' MET . 96.3 t -99.41 144.09 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.07 167.71 10.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 125.74 29.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.7 p -86.22 145.63 40.75 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.956 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -43.45 0.41 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.491 1.785 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.84 -59.79 3.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.03 -84.27 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.31 136.8 6.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 110.345 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 80' ' ' LEU . 1.2 mm? -47.55 152.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.22 -10.46 41.38 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 8.7 p90 -125.06 154.93 40.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.79 118.21 35.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.02 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HB ' HG22 ' A' ' 38' ' ' ILE . 33.6 m -108.05 143.71 18.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -114.26 157.56 22.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 119.06 -168.55 13.37 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -175.05 -118.61 0.53 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.6 t -138.0 85.89 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 110.001 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -165.25 146.09 7.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.37 -60.51 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.54 61.39 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.5 pp -129.2 141.17 51.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.437 0.728 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.48 -137.99 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.486 HG22 ' HB ' ' A' ' 28' ' ' VAL . 11.4 mm -114.42 130.59 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 6.5 m-85 -119.29 139.9 51.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.73 140.96 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.95 -49.22 2.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -134.12 159.01 42.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -137.82 110.14 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.02 131.65 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.65 164.84 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 40.76 29.86 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.85 -178.76 3.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' ALA . 3.9 m -74.63 -34.87 62.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.3 -65.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -29.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 -86.79 -35.44 19.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.39 -21.86 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.41 -7.22 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 26' ' ' PHE . 15.1 tp -72.53 129.27 37.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 0.794 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -132.97 -171.96 2.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.293 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.1 t -84.99 143.68 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.68 36.46 7.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.412 ' HB3' HG11 ' A' ' 90' ' ' VAL . 22.7 m-20 -124.65 146.57 49.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 0.731 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 33.4 tttt -122.17 108.68 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -73.63 119.86 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.5 p -102.0 -18.63 15.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.356 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 28.5 tt0 -159.27 158.18 32.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.841 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.09 137.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.908 HD22 HD23 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 50.15 23.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.354 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.11 -43.59 2.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.9 124.54 20.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.74 140.62 32.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.841 HD11 ' CG1' ' A' ' 63' ' ' VAL . 9.3 mt -113.75 32.79 5.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -85.43 8.24 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.278 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.1 t -178.69 46.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.013 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -129.45 155.91 44.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.0 t -78.22 148.35 34.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.482 ' CE ' HG23 ' A' ' 28' ' ' VAL . 18.8 tpp -46.89 -54.82 9.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.29 -69.64 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.118 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.24 -58.65 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -47.22 -44.5 22.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.688 ' O ' HG22 ' A' ' 81' ' ' THR . 77.9 t -68.29 -51.62 45.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.28 -27.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -91.96 -46.08 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 86' ' ' LEU . 63.7 mt -62.22 -13.4 27.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.688 HG22 ' O ' ' A' ' 77' ' ' VAL . 9.2 t -109.31 5.32 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 83' ' ' SER . 31.1 t -139.67 92.82 2.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.967 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 82' ' ' SER . 1.5 m 159.88 129.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 m -81.32 -3.17 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -162.46 96.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.908 HD23 HD22 ' A' ' 64' ' ' ASN . 23.5 mt -84.47 146.53 27.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -126.03 89.03 2.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.59 ' CE ' ' CG2' ' A' ' 16' ' ' VAL . 19.2 mtm -91.07 146.72 23.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 1.0 OUTLIER -130.23 116.04 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.486 HG22 ' HB2' ' A' ' 12' ' ' HIS . 29.3 m -102.78 156.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -110.83 110.34 20.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.67 120.75 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.31 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 2.2 ptm -116.19 -20.68 9.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 153.07 177.99 27.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.4 t 61.82 135.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.63 98.69 0.11 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.98 34.3 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.2 p -176.49 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.6 p -81.03 1.48 31.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -132.57 169.81 16.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -134.02 143.61 48.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.89 -149.4 4.96 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.9 p -49.81 165.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 0.801 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.54 -61.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.959 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.64 -165.91 15.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.41 114.68 19.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 0.784 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -170.71 121.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 mt -139.2 159.35 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -88.97 140.52 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.531 ' HB2' HG22 ' A' ' 90' ' ' VAL . 11.8 m170 -99.48 137.35 38.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.626 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.1 131.65 53.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' ' 88' ' ' MET . 2.9 p -145.59 148.15 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HG2' ' CD2' ' A' ' 87' ' ' HIS . 69.6 mtt180 -129.33 111.44 12.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 49' ' ' ALA . 94.4 t -108.46 149.33 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -91.64 166.36 12.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.4 139.78 30.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.88 148.83 40.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 60.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.537 1.809 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 64.04 102.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.53 -80.8 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -178.4 144.13 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -47.18 160.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.77 -8.1 45.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.603 ' CD2' HD21 ' A' ' 54' ' ' LEU . 1.9 p90 -131.54 157.6 43.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.36 128.97 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG23 ' CE ' ' A' ' 73' ' ' MET . 10.2 m -110.28 151.72 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' A' ' 30' ' ' GLY . 23.8 ptt85 -101.52 152.69 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' O ' ' NH1' ' A' ' 29' ' ' ARG . . . -61.94 138.19 46.18 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.3 45.0 3.1 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 34' ' ' HIS . 32.5 p -101.34 -173.59 2.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.762 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 66.45 -74.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.534 ' HB3' HD21 ' A' ' 36' ' ' LEU . 72.0 m-70 -62.9 -79.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.63 ' C ' HD22 ' A' ' 36' ' ' LEU . . . 134.4 56.77 0.07 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.741 HD22 ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -125.27 -169.55 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.73 -105.67 0.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 32.0 mm -124.19 147.82 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 0.784 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.54 ' CE2' ' HB2' ' A' ' 59' ' ' LYS . 18.1 m-85 -138.03 150.43 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 t -88.37 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.98 -42.81 2.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 13.5 tptm -139.29 154.23 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.57 HG11 ' O ' ' A' ' 54' ' ' LEU . 42.3 t -137.3 103.97 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.63 130.11 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.32 164.23 24.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.58 31.05 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.93 -177.83 3.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -73.69 -35.27 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.995 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.93 -66.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.71 -31.22 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 mtm180 -85.29 -35.35 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.94 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.05 -10.94 10.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.603 HD21 ' CD2' ' A' ' 26' ' ' PHE . 12.9 tp -73.82 126.2 29.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.52 -175.05 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 3.9 t -79.83 140.35 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.23 34.11 6.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.602 ' HB3' HG11 ' A' ' 90' ' ' VAL . 6.0 m-20 -116.98 156.43 27.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.767 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 39' ' ' PHE . 9.7 ttpt -129.54 97.76 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.14 114.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.4 p -97.96 -32.45 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.39 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 19.0 tt0 -146.84 154.72 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.238 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.873 HG13 ' HG3' ' A' ' 88' ' ' MET . 23.1 t -144.79 147.06 19.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' VAL . 0.5 OUTLIER 39.09 30.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.439 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 89.64 -42.87 2.98 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.3 OUTLIER -54.61 119.48 5.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 109.261 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.652 ' C ' HD23 ' A' ' 68' ' ' LEU . 9.8 t -72.27 127.5 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 67' ' ' SER . 9.0 mt -116.24 32.09 6.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 p -132.65 46.8 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.045 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.9 m -123.91 147.83 47.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.391 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -68.54 -172.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.451 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.9 ttm -85.47 -57.92 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.92 -67.18 0.78 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.59 -49.86 9.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.56 80.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.641 ' O ' HG22 ' A' ' 81' ' ' THR . 79.3 t -67.97 -51.62 47.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -46.82 -31.69 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -91.32 -45.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.915 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -61.55 -13.7 23.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 77' ' ' VAL . 13.8 t -109.59 5.34 22.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.8 t -131.2 83.2 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 167.31 138.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.6 m -92.79 25.64 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 ptt85 179.8 93.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.25 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.915 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.5 mp -88.38 117.61 27.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.525 ' CD2' ' HG2' ' A' ' 15' ' ' ARG . 47.4 m170 -103.67 87.71 2.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.617 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.873 ' HG3' HG13 ' A' ' 63' ' ' VAL . 12.7 mtm -91.29 139.21 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.996 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.662 ' HB3' HG23 ' A' ' 11' ' ' ILE . 25.4 mmm -126.79 119.37 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 58' ' ' ASP . 31.4 m -102.52 155.64 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 -110.2 122.79 48.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -118.65 148.67 42.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 29.1 mtp -119.03 93.36 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 81.83 167.83 39.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.0 t -72.88 156.8 38.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 109.96 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.28 96.54 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 109.34 2.91 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.4 t -140.82 127.94 20.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -66.48 130.91 44.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.029 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 t -140.33 139.2 35.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -51.8 117.95 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 160.56 10.72 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 t -170.56 145.08 2.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -105.43 149.04 26.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.958 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.11 -168.13 40.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.35 150.89 47.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 0.747 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 61.92 154.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -134.53 158.03 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.3 mm -95.16 140.68 16.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' HB2' HG22 ' A' ' 90' ' ' VAL . 10.6 m-70 -108.76 129.94 55.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.562 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.443 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.4 OUTLIER -94.66 128.35 41.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.63 148.63 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 9.1 mtt180 -128.72 107.31 9.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.0 t -100.21 133.23 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -100.78 167.38 10.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -82.71 136.09 34.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.1 m -124.1 146.03 50.09 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 106.83 2.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -172.56 -60.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.88 -83.44 0.16 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 148.72 34.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 0.726 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD12 ' HE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -41.39 158.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.03 -8.9 45.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' A' ' 24' ' ' LEU . 3.3 p90 -129.43 155.67 45.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 t -106.12 126.08 51.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 110.031 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG23 ' CE ' ' A' ' 73' ' ' MET . 17.3 m -108.43 146.82 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -112.06 156.17 22.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.58 -149.18 16.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 111.29 -59.98 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 p -39.56 129.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.69 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -146.29 -56.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.82 -55.43 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' O ' ' A' ' 37' ' ' GLY . 4.1 pp -44.69 141.51 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.539 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -76.67 -137.3 0.78 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mm -102.04 133.62 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.566 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 22.0 m-85 -128.99 141.01 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.13 149.19 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 1.1 p -125.5 -42.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -151.07 168.66 23.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.753 HG21 ' HA ' ' A' ' 55' ' ' CYS . 58.4 t -143.58 109.2 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.54 137.33 2.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.78 152.29 45.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 45.54 42.69 10.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.3 p -108.49 173.06 6.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 0.789 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' ALA . 62.8 m -69.34 -29.68 67.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.16 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.29 -41.24 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -75.52 -39.67 58.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -64.09 -24.58 67.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.2 2.06 20.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.645 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 34.3 tp -82.35 127.72 33.52 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.76 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.753 ' HA ' HG21 ' A' ' 43' ' ' VAL . 80.1 m -150.15 150.21 31.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.258 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -54.25 152.04 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.35 -3.53 47.18 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.967 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' OD2' HG21 ' A' ' 90' ' ' VAL . 3.4 m-20 -105.11 160.86 14.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -128.87 111.2 12.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.84 113.88 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.0 p -96.93 -19.85 18.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.445 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -159.13 154.91 26.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.941 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.3 p -160.2 137.94 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.8 16.49 5.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.324 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.62 -25.52 20.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.546 1.153 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 66' ' ' LEU . 5.8 mt -77.62 134.06 38.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -83.48 142.21 31.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.977 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.941 HD11 ' CG1' ' A' ' 63' ' ' VAL . 7.2 mt -121.52 31.87 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.68 -15.16 58.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.25 50.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 72' ' ' THR . 1.0 OUTLIER -132.4 158.91 40.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.34 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.441 ' O ' HG22 ' A' ' 71' ' ' THR . 1.1 t -76.08 169.05 18.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.42 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.591 ' CE ' HG23 ' A' ' 28' ' ' VAL . 4.1 ttm -71.8 -58.8 3.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -38.54 -69.55 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 74' ' ' GLY . 8.3 t -39.0 -60.46 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.22 -53.33 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 81' ' ' THR . 94.5 t -56.66 -57.16 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.23 -38.77 1.19 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -77.37 -44.39 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.924 ' O ' HD11 ' A' ' 86' ' ' LEU . 16.0 mt -58.56 -41.46 85.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' VAL . 5.9 t -81.06 5.35 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 9.4 t -127.96 85.45 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 160.46 142.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.944 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 85' ' ' ARG . 6.2 t -97.29 12.27 33.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.011 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 84' ' ' SER . 0.0 OUTLIER -171.52 89.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.924 HD11 ' O ' ' A' ' 80' ' ' LEU . 9.1 mt -84.82 145.71 27.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -128.28 90.61 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.568 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.2 mtm -89.68 149.06 22.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.446 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.1 mmt -129.46 112.61 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.7 m -102.31 158.57 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -118.73 109.22 15.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -120.23 152.52 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.261 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.51 99.08 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -53.28 108.42 0.76 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 18.6 m 62.84 127.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 0.752 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 131.87 -144.93 16.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 172.2 16.82 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.73 -58.5 1.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.4 t -128.56 92.61 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.029 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.125 . . . . 0.0 110.97 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -156.49 120.13 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 170.79 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.12 156.87 7.28 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.96 105.51 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -112.53 142.83 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.66 108.94 3.41 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.4 -60.49 0.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.493 ' CB ' ' O ' ' A' ' 92' ' ' ARG . 6.7 m-20 -105.49 83.4 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.587 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.0 mp -78.99 157.81 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -97.12 145.41 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.588 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.8 m170 -102.39 136.83 41.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.97 130.64 53.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 52' ' ' ALA . 3.4 p -145.78 149.25 16.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 103.89 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG21 ' HE1' ' A' ' 88' ' ' MET . 38.6 t -96.66 156.09 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.96 159.37 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -76.0 154.11 36.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 m -131.75 138.25 32.13 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 18.2 Cg_endo -75.03 176.99 9.19 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 20' ' ' PRO . . . 79.1 -60.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.65 72.64 0.22 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.89 86.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.323 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.93 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? -41.95 152.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.15 -12.17 36.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -125.42 157.49 36.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.42 134.95 53.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.539 HG23 ' CE ' ' A' ' 73' ' ' MET . 13.5 m -114.18 153.18 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -122.08 158.23 29.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.34 -139.45 14.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.3 -124.89 2.31 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.46 109.05 10.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -169.01 -50.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 -54.96 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.552 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.12 63.94 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.9 pp -145.22 143.12 30.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . -64.25 -142.21 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.559 HD11 ' HA ' ' A' ' 73' ' ' MET . 25.6 mm -109.74 137.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 12.2 m-85 -130.43 142.38 50.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 t -79.16 147.03 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -126.96 -49.1 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.062 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 13.3 tptp -134.97 150.77 50.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.608 HG11 ' O ' ' A' ' 54' ' ' LEU . 40.0 t -136.23 103.06 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.86 128.23 4.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.335 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' SER . 7.5 pt-20 -67.04 168.7 9.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.61 31.23 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.7 p -104.96 179.76 4.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 109.996 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 52' ' ' ALA . 94.7 p -72.98 -31.55 64.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -65.98 -66.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.55 -31.3 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -35.46 21.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.06 -21.45 66.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.65 -8.94 14.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.608 ' O ' HG11 ' A' ' 43' ' ' VAL . 16.0 tp -78.02 127.39 32.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 5.4 m -139.01 -176.05 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 108.307 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 24.2 t -80.0 136.01 24.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.49 35.03 4.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' HB3' HG11 ' A' ' 90' ' ' VAL . 29.7 m-20 -130.25 156.21 45.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 12.7 tttt -129.89 110.1 11.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.2 mt -70.66 114.65 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.974 HG21 ' HG2' ' A' ' 91' ' ' ARG . 40.6 p -91.15 -23.58 20.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.1 tt0 -165.63 157.95 15.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.815 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -155.09 136.16 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.763 HD22 HD23 ' A' ' 86' ' ' LEU . 0.5 OUTLIER 52.77 27.49 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.1 -40.52 3.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.62 117.46 4.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.541 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -76.64 134.67 39.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.563 1.164 . . . . 0.0 110.011 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.815 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.6 mt -112.86 27.08 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -81.84 1.54 34.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 49.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.674 HG21 HD22 ' A' ' 68' ' ' LEU . 1.3 t -129.99 162.59 28.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.11 143.33 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.559 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.6 ttm -46.21 -65.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -37.89 -64.9 0.72 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.4 OUTLIER -38.44 -58.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.783 . . . . 0.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.534 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -51.37 -56.57 12.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG12 HG23 ' A' ' 81' ' ' THR . 83.9 t -52.16 -49.55 39.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -41.15 -31.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' O ' HD21 ' A' ' 86' ' ' LEU . 96.7 t -89.57 -40.97 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.93 ' O ' HD21 ' A' ' 24' ' ' LEU . 30.5 mt -67.3 -9.85 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.542 HG23 HG12 ' A' ' 77' ' ' VAL . 2.8 p -89.44 -22.17 22.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.4 OUTLIER -115.79 -147.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 55.0 109.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 m -64.91 -10.1 26.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.7 mtt-85 -150.65 95.22 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.763 HD23 HD22 ' A' ' 64' ' ' ASN . 23.3 mt -83.71 135.77 34.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -117.87 87.25 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.173 . . . . 0.0 109.609 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.491 ' HE1' HD22 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -91.75 145.75 24.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.515 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.7 mmm -132.71 123.34 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.57 156.51 4.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.974 ' HG2' HG21 ' A' ' 61' ' ' THR . 12.2 mmt180 -91.95 162.26 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 23.9 tpt180 -140.45 149.19 42.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 92' ' ' ARG . 2.3 mmt -84.15 179.84 7.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.57 -109.19 2.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.7 m -119.22 149.0 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -151.65 178.08 29.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 61.73 5.75 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.9 167.83 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.77 135.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.51 167.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 0.783 . . . . 0.0 110.018 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.63 132.93 55.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.32 -62.31 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 m 44.53 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 0.79 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.33 161.91 2.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.015 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.7 162.81 24.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.5 p -98.12 -20.59 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -126.0 161.32 27.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.49 156.11 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.1 mm -98.89 131.14 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -96.73 168.43 10.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.15 126.87 46.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.3 p -145.35 146.68 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 19.1 mtp180 -128.73 102.6 6.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.591 HG21 ' CE ' ' A' ' 88' ' ' MET . 72.0 t -96.97 109.71 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -82.31 145.4 29.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -74.77 155.34 37.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.7 p -162.23 134.59 4.23 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 75.47 3.7 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.985 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.16 -59.29 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.49 93.67 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.517 1.135 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.36 161.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -40.95 153.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.64 -9.4 51.23 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.735 ' HZ ' HD22 ' A' ' 80' ' ' LEU . 9.6 p90 -125.82 152.37 45.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.754 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.7 t -106.68 124.08 49.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.2 m -108.6 151.01 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -119.01 160.94 21.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 105.46 -152.07 17.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.96 95.79 1.88 Allowed Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.19 160.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.019 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.28 61.99 3.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -111.08 -66.83 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.32 72.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.7 pp -164.21 148.25 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.756 . . . . 0.0 109.343 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -76.96 -149.26 3.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 73' ' ' MET . 16.5 mm -110.32 130.16 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 23.3 m-85 -121.17 139.4 53.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 t -73.96 143.0 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -120.21 -39.6 2.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.01 169.37 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 55' ' ' CYS . 69.1 t -146.77 125.1 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -47.6 175.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.45 136.15 38.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 37.65 45.45 1.45 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.547 1.154 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.0 p -109.0 -178.17 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.4 m -53.53 -46.42 70.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -60.14 -70.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.51 -32.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -79.3 -39.26 33.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -64.01 -25.27 68.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.05 7.61 30.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.499 ' O ' HG11 ' A' ' 43' ' ' VAL . 22.9 tp -82.75 124.87 30.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.559 ' HA ' HG21 ' A' ' 43' ' ' VAL . 1.7 p -138.97 141.29 38.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 108.274 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 41' ' ' SER . 1.0 OUTLIER -45.11 146.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 111.83 -11.21 27.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.143 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.768 ' OD2' HG21 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -100.53 163.73 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 11.5 tttt -130.34 115.3 16.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.415 ' HA ' HG12 ' A' ' 90' ' ' VAL . 6.8 mt -71.66 114.11 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 76.7 p -94.93 -21.76 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 26.0 tt0 -165.51 160.01 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.801 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -156.54 140.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.535 HD22 HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER 48.14 24.43 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 93.61 -37.03 3.5 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.87 121.52 14.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.58 137.25 37.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.956 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.801 HD11 ' CG1' ' A' ' 63' ' ' VAL . 18.4 mt -108.09 17.4 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -51.15 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.8 m -114.62 51.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 152.03 44.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.426 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.7 t -75.42 162.75 28.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.434 ' HA ' HD11 ' A' ' 38' ' ' ILE . 1.7 ttm -56.4 -57.16 13.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.22 0.43 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.16 -54.85 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' HB2' HD22 ' A' ' 68' ' ' LEU . . . -52.29 -51.25 59.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.454 ' C ' ' N ' ' A' ' 79' ' ' VAL . 66.3 t -59.25 -56.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' VAL . 4.5 tttt -39.07 -30.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.454 ' N ' ' C ' ' A' ' 77' ' ' VAL . 0.5 OUTLIER -89.83 -46.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.735 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 17.3 mt -59.95 -15.79 24.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 77' ' ' VAL . 15.3 t -110.61 5.24 20.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 83' ' ' SER . 4.6 t -134.91 89.93 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 159.1 125.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p -75.46 -6.42 50.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.65 93.07 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.535 HD23 HD22 ' A' ' 64' ' ' ASN . 16.1 mt -83.91 143.06 30.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -124.56 89.41 3.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.608 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.591 ' CE ' HG21 ' A' ' 16' ' ' VAL . 24.6 mtm -90.61 142.61 27.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.668 ' HB3' HG23 ' A' ' 11' ' ' ILE . 43.1 mmm -125.4 114.73 19.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.768 HG21 ' OD2' ' A' ' 58' ' ' ASP . 27.8 m -102.76 155.52 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 48.6 mtt85 -106.21 105.19 15.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.87 143.58 49.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 9.4 ptm -72.97 166.56 22.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -39.85 141.18 0.75 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.01 168.57 18.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.763 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 124.16 91.37 0.94 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -140.15 135.65 32.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.006 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.58 -58.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -120.74 127.24 51.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.003 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.13 160.91 2.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.048 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.06 104.76 2.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -178.71 -53.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 0.784 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.05 155.97 45.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.97 121.33 0.56 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -54.18 -54.08 44.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.44 150.75 46.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.73 156.37 37.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.637 HG23 ' HB3' ' A' ' 89' ' ' MET . 3.5 mm -92.1 145.25 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.476 ' HB2' HG22 ' A' ' 90' ' ' VAL . 12.3 m-70 -111.97 150.42 30.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.649 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.9 133.83 54.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 88' ' ' MET . 2.7 p -145.86 150.1 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -131.03 104.8 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG22 ' HA ' ' A' ' 49' ' ' ALA . 42.2 t -99.99 118.45 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.51 164.26 23.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.45 125.47 27.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -86.92 162.0 45.48 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.046 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 18.4 Cg_endo -74.97 68.97 5.64 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 20' ' ' PRO . . . 174.51 177.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.42 66.24 0.55 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.573 1.17 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.63 152.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -70.59 162.74 28.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.1 6.45 59.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.461 1.101 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 20.2 p90 -138.0 158.81 43.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.72 129.27 55.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' CE ' ' A' ' 73' ' ' MET . 22.3 m -108.53 154.35 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -125.37 167.12 15.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.69 -150.7 19.74 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.23 -90.86 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 p -145.88 76.07 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.973 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -131.04 -61.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -93.38 -56.16 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.39 64.12 0.06 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.2 mt -139.04 176.2 8.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.438 ' CA ' ' O ' ' A' ' 68' ' ' LEU . . . -82.75 -138.97 3.22 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 41.6 mm -107.98 137.06 41.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.527 0.78 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CE2' ' CD ' ' A' ' 59' ' ' LYS . 6.0 m-85 -133.48 143.13 48.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.488 HG21 HD11 ' A' ' 54' ' ' LEU . 16.2 t -73.51 147.78 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -126.31 -48.42 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 158.2 44.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.7 t -139.99 114.55 6.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.84 149.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.34 138.08 47.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 48.55 32.78 10.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 170.58 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.06 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' ALA . 10.2 t -67.96 -28.01 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -65.15 -58.51 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -30.44 12.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -86.09 -36.54 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.86 -23.14 67.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.13 -14.26 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 17.2 tp -63.07 142.12 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.432 0.725 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.2 m -147.5 174.59 11.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 108.278 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 t -80.68 138.48 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.72 -28.8 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' HB3' HG11 ' A' ' 90' ' ' VAL . 78.6 m-20 -52.56 156.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.602 ' CD ' ' CE2' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -130.57 102.8 6.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -69.45 117.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.8 p -101.33 -19.51 15.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.423 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.43 153.94 9.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 64' ' ' ASN . 2.3 p -155.38 128.2 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 63' ' ' VAL . 4.2 m120 84.44 -42.25 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.78 -38.13 0.54 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -71.89 128.8 36.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' C ' HD23 ' A' ' 68' ' ' LEU . 41.4 t -75.22 129.51 37.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD11 ' CG1' ' A' ' 63' ' ' VAL . 11.2 mt -105.48 42.11 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -79.79 -26.1 40.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -142.1 37.03 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.8 m -112.82 143.38 44.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.1 p -60.04 -167.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.521 ' CE ' HG23 ' A' ' 28' ' ' VAL . 3.3 ttm -95.9 -62.8 1.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.3 -67.76 0.49 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 0.4 OUTLIER -42.43 -50.37 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 0.748 . . . . 0.0 109.998 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.13 -53.21 60.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 80' ' ' LEU . 95.7 t -54.69 -47.52 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -52.7 -45.76 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' SER . 60.8 t -70.37 -27.33 31.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.836 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.4 mt -77.9 -13.62 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.5 p -106.37 5.58 29.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -125.78 69.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.0 t 177.02 136.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.8 t -91.02 3.65 54.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.63 89.51 1.04 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.836 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.6 mp -84.46 134.94 34.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -123.96 90.44 3.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.536 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.483 ' O ' HG12 ' A' ' 14' ' ' VAL . 30.2 mtm -89.83 141.36 28.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 11' ' ' ILE . 32.4 mmm -123.88 116.8 23.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' ' 58' ' ' ASP . 33.2 m -102.8 158.82 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.403 HH11 HD11 ' A' ' 11' ' ' ILE . 1.9 mtp85 -112.9 111.81 22.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -108.11 138.27 44.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.59 159.18 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -43.87 -95.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.9 p -176.88 127.24 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 154.61 164.82 13.26 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 70.42 5.35 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.502 1.791 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.17 151.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.035 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.7 p -85.01 149.14 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.8 p -69.04 85.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.7 161.02 9.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.56 -68.45 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t 63.5 120.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.747 . . . . 0.0 110.034 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.1 92.5 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.78 97.73 0.83 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.5 m -161.67 147.71 13.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 0.768 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.97 86.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.8 mp -46.39 163.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.665 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -92.94 142.04 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.51 ' O ' ' HE3' ' A' ' 89' ' ' MET . 5.6 m-70 -100.55 150.71 22.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.03 124.47 52.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 52' ' ' ALA . 7.0 p -145.54 149.15 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -134.73 105.22 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.514 HG21 ' HE1' ' A' ' 88' ' ' MET . 43.0 t -93.04 145.67 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 167.99 12.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 84' ' ' SER . 0.0 OUTLIER -98.96 168.94 9.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 p -176.17 130.02 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.013 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.57 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.93 -66.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.36 -58.88 0.35 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' LEU . 12.6 tpp180 -105.14 107.55 18.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD22 ' CE2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -41.99 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.35 -22.41 2.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.814 ' CE2' HD22 ' A' ' 24' ' ' LEU . 30.1 p90 -120.74 159.97 24.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.85 140.27 50.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.471 HG23 ' CE ' ' A' ' 73' ' ' MET . 27.8 m -114.53 156.67 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -141.0 166.59 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 100.55 -112.37 4.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.24 -103.98 1.21 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.6 p -148.64 85.79 1.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -117.57 -56.51 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -96.39 -55.1 3.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.577 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.33 55.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -127.75 -178.91 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.57 -152.17 29.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.627 HD12 ' SD ' ' A' ' 73' ' ' MET . 15.6 mm -90.64 143.1 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 49.6 m-85 -131.22 135.84 47.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.07 128.04 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.17 -54.56 3.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.015 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.84 168.55 19.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -143.49 106.19 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.39 123.27 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.34 148.93 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 41.45 51.01 4.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 82.6 p -108.94 166.06 11.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -28.19 69.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -66.97 -62.02 1.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.07 -29.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -88.34 -34.82 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.92 -21.38 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.05 -12.37 9.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.415 ' HB3' ' HB1' ' A' ' 49' ' ' ALA . 14.9 tp -68.9 146.42 52.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.98 -171.28 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.307 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.7 t -88.16 146.68 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.18 -24.93 24.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.05 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.419 ' HB3' HG11 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -57.98 152.39 16.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 22.2 tttt -129.92 109.69 11.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.78 116.01 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 74.2 p -98.06 -19.23 18.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 21.7 tt0 -164.34 155.48 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.857 HG11 HD11 ' A' ' 68' ' ' LEU . 1.3 p -150.52 139.49 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' ND2' ' OG ' ' A' ' 83' ' ' SER . 1.6 t-20 48.34 24.32 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 63' ' ' VAL . . . 94.46 -34.7 4.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.6 mt -68.09 131.23 45.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -83.22 146.69 28.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.857 HD11 HG11 ' A' ' 63' ' ' VAL . 23.7 mt -116.98 18.82 14.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -74.88 -42.78 57.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 p -124.71 54.93 1.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.37 153.58 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 p -71.04 139.28 50.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.627 ' SD ' HD12 ' A' ' 38' ' ' ILE . 7.3 tpp -43.63 -62.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -38.28 -60.77 1.32 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -39.6 -66.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.549 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -39.99 -51.51 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.03 ' O ' HG23 ' A' ' 81' ' ' THR . 64.3 t -61.01 -54.24 38.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -30.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.3 t -85.19 -45.52 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.734 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 14.7 mt -60.35 -33.32 72.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 1.03 HG23 ' O ' ' A' ' 77' ' ' VAL . 29.9 p -62.93 -33.89 76.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -107.14 -141.89 0.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 110.004 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.445 ' OG ' ' ND2' ' A' ' 64' ' ' ASN . 41.7 t 58.38 111.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.47 ' HA ' ' CD ' ' A' ' 18' ' ' LYS . 1.9 m -68.7 -8.13 39.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -156.58 95.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD11 ' O ' ' A' ' 80' ' ' LEU . 7.6 mt -83.83 130.01 34.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.597 ' CD2' ' SD ' ' A' ' 89' ' ' MET . 0.1 OUTLIER -117.93 87.67 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.625 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.514 ' HE1' HG21 ' A' ' 16' ' ' VAL . 9.4 mtm -91.4 143.69 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.992 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.665 ' HB3' HG23 ' A' ' 11' ' ' ILE . 47.4 mmm -129.26 117.01 20.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.419 HG11 ' HB3' ' A' ' 58' ' ' ASP . 34.6 m -101.96 156.39 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -107.1 117.82 35.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 ttt180 -132.99 150.92 52.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.2 146.69 24.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.39 100.18 1.9 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.76 137.46 6.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 110.001 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -77.73 156.03 43.83 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.63 9.46 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.502 1.791 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.7 t -75.91 150.04 37.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.0 m -107.2 -61.62 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.77 153.37 40.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.016 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.55 111.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.71 -159.85 19.66 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -155.0 119.93 4.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.06 160.55 14.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.992 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.46 -110.3 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -135.87 -46.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -81.86 108.24 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.46 HD12 ' H ' ' A' ' 10' ' ' ILE . 4.7 mp -66.36 160.84 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -99.41 145.35 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.524 ' O ' ' HE2' ' A' ' 89' ' ' MET . 30.4 m-70 -115.11 137.85 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.575 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -105.01 136.33 44.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 88' ' ' MET . 2.2 p -145.57 153.86 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 5.3 mtm180 -134.26 108.51 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 49' ' ' ALA . 93.7 t -104.86 138.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.43 134.41 34.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.51 135.37 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 p -94.8 153.86 39.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -11.79 21.48 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.57 -58.64 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.08 58.5 0.17 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 178.38 141.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.321 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.717 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -68.12 163.02 23.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.07 3.73 60.56 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.633 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 9.8 p90 -135.79 154.38 51.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.31 137.11 41.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG23 ' HE3' ' A' ' 73' ' ' MET . 2.7 m -112.79 164.83 8.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -129.13 162.63 27.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.45 -125.84 36.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.19 95.26 0.51 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.8 t -169.51 146.94 3.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.981 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -54.56 89.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -140.35 -62.56 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 157.98 -27.93 0.46 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 37' ' ' GLY . 4.3 pp -58.65 -48.75 79.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 0.756 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.543 ' N ' HD12 ' A' ' 36' ' ' LEU . . . 99.33 -126.35 8.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 73' ' ' MET . 10.0 mm -123.73 142.93 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 59' ' ' LYS . 20.9 m-85 -134.53 142.85 47.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG22 HD11 ' A' ' 60' ' ' ILE . 10.8 t -81.78 144.95 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.21 -50.29 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -136.79 155.43 49.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 32.6 t -135.94 105.82 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.27 149.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.24 145.97 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 50.09 24.35 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.84 163.5 21.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ALA . 5.5 p -62.77 -26.91 68.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 54' ' ' LEU . . . -67.45 -64.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -30.52 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.74 -34.58 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 15' ' ' ARG . . . -63.69 -22.28 66.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 122.92 -12.39 8.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 26' ' ' PHE . 15.3 tp -69.74 152.14 44.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.33 -174.69 4.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.351 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.0 t -84.68 144.76 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.39 15.25 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.427 ' HB3' HG11 ' A' ' 90' ' ' VAL . 79.7 m-20 -114.47 150.52 34.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 39' ' ' PHE . 58.2 tttt -124.37 104.09 8.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 4.7 mt -71.96 116.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.5 p -98.39 -31.8 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.397 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 65' ' ' GLY . 22.7 tt0 -148.39 154.39 39.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.791 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.7 t -147.4 152.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.506 ' CG ' HG12 ' A' ' 63' ' ' VAL . 0.2 OUTLIER 39.0 30.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' VAL . . . 87.18 -40.62 3.08 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.02 122.24 15.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.763 . . . . 0.0 109.328 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.543 ' C ' HD23 ' A' ' 68' ' ' LEU . 0.1 OUTLIER -71.7 134.92 46.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 67' ' ' SER . 11.4 mt -115.08 38.52 3.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -78.31 -30.18 48.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.1 t -140.64 45.54 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.001 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 m -118.51 148.02 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.8 t -67.35 165.15 17.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.507 ' HE3' HG23 ' A' ' 28' ' ' VAL . 10.8 tpp -66.63 -61.32 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -38.11 -69.94 0.31 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.3 m -39.95 -57.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.82 -42.68 36.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.959 ' O ' HG23 ' A' ' 81' ' ' THR . 93.4 t -69.99 -58.43 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.148 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.89 -36.2 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.77 -41.13 24.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.955 ' O ' HD21 ' A' ' 86' ' ' LEU . 6.2 mt -66.64 -10.5 46.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.959 HG23 ' O ' ' A' ' 77' ' ' VAL . 65.3 p -102.37 5.21 39.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.0 m -129.7 82.56 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 162.48 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -80.64 4.44 18.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -159.58 94.64 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.955 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.7 mp -83.82 118.07 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -101.89 87.74 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.791 ' HG3' HG13 ' A' ' 63' ' ' VAL . 10.0 mtm -90.41 136.12 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.524 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.0 OUTLIER -114.23 116.49 29.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 12' ' ' HIS . 32.0 m -105.22 156.13 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 mtp180 -113.63 107.47 15.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.27 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.36 137.06 30.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.1 152.04 28.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 77.07 -120.0 5.52 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.25 -54.38 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -162.4 97.35 0.15 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 57.23 4.55 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.67 141.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.955 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' GLY . 3.9 m -58.97 168.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m 63.27 146.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.969 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.0 p -80.01 168.65 18.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.07 -168.99 30.14 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m 60.82 150.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 0.792 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -178.72 159.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.045 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.03 128.84 5.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.7 m 73.1 -60.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 0.794 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 133.29 55.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.4 158.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -97.33 148.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.645 ' HB2' HG22 ' A' ' 90' ' ' VAL . 7.7 m170 -110.49 128.84 55.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.599 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 130.21 47.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -146.29 148.39 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -130.72 106.96 8.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.43 HG23 ' HE3' ' A' ' 88' ' ' MET . 99.5 t -97.65 152.55 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -115.19 148.62 38.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 ptmm? -73.16 135.54 44.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.6 p -114.49 151.02 44.8 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.01 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 58.43 4.88 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.47 -60.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.39 -96.42 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 156.81 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 0.8 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.874 HD11 ' O ' ' A' ' 80' ' ' LEU . 1.3 mm? -56.25 154.73 7.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.47 -10.26 57.12 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.699 ' CD2' ' CD2' ' A' ' 54' ' ' LEU . 17.2 p90 -124.7 148.33 48.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.09 130.0 37.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 m -111.28 159.39 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -134.09 153.92 51.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.24 -154.44 16.68 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.59 -112.95 0.29 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.8 p -171.63 107.02 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -179.79 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -37.97 38.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.605 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.87 55.57 0.82 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD13 ' CE1' ' A' ' 39' ' ' PHE . 3.8 pp -116.63 -38.57 3.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.29 -141.05 15.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.422 HD12 ' SD ' ' A' ' 73' ' ' MET . 39.6 mm -111.01 140.48 30.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 0.757 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 59' ' ' LYS . 15.7 m-85 -132.93 144.64 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 t -85.06 146.93 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.62 -51.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 0.8 OUTLIER -129.79 160.81 32.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 54' ' ' LEU . 44.1 t -144.58 100.96 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -43.19 129.92 4.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.271 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.46 161.45 30.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.7 24.52 5.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 -178.17 3.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.757 . . . . 0.0 109.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 52' ' ' ALA . 61.3 p -76.34 -34.08 58.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.997 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -64.34 -66.49 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.11 -29.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -86.28 -36.12 19.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' ALA . . . -63.77 -22.51 66.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.59 -11.27 10.37 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.699 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 15.0 tp -73.04 125.26 27.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.77 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.1 m -131.85 -169.98 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 42' ' ' LYS . 18.1 t -87.6 149.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.06 46.03 5.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.49 ' HB3' HG11 ' A' ' 90' ' ' VAL . 2.5 m-20 -136.15 154.78 50.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 39' ' ' PHE . 43.6 tttt -127.66 101.64 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 6.7 mt -69.17 114.73 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 35.0 p -95.81 -33.38 12.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' MET . 24.2 tt0 -142.85 152.73 42.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.801 HG13 ' HG3' ' A' ' 88' ' ' MET . 21.5 t -145.11 144.06 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 39.7 35.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.85 -41.36 3.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.069 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' VAL . 3.3 mt -61.63 131.29 49.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 0.748 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.808 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.4 OUTLIER -84.07 145.73 28.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 67' ' ' SER . 7.1 mt -127.13 36.87 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.5 -19.15 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -153.07 33.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.6 m -101.26 148.6 24.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 p -70.05 141.32 52.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.522 ' O ' HG23 ' A' ' 77' ' ' VAL . 9.4 tpp -47.15 -58.82 3.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.981 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -40.55 -70.21 0.41 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.0 m -39.35 -61.49 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -44.43 -46.66 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.825 ' O ' HG22 ' A' ' 81' ' ' THR . 88.2 t -64.6 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.404 ' C ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -51.09 -26.26 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.2 t -96.14 -42.66 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.874 ' O ' HD11 ' A' ' 24' ' ' LEU . 3.3 mt -66.84 -10.45 48.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.825 HG22 ' O ' ' A' ' 77' ' ' VAL . 8.1 t -105.72 5.19 30.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.4 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 t -129.44 -147.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 86' ' ' LEU . 14.4 m 52.97 172.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.963 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.9 m -117.03 -5.33 11.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.949 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.61 96.55 1.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -82.97 108.92 16.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.1 OUTLIER -98.25 86.97 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.801 ' HG3' HG13 ' A' ' 63' ' ' VAL . 19.0 mtm -89.4 134.21 34.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.52 117.36 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 12' ' ' HIS . 33.1 m -102.41 155.46 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -111.56 117.66 33.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.86 141.4 51.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.318 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.4 mtp -71.69 171.08 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -37.78 -83.96 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.6 p -169.86 158.61 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 109.961 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.97 97.72 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.486 1.782 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 66.8 m -154.15 -52.49 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.037 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.73 107.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.582 1.176 . . . . 0.0 110.99 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 92.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.989 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -162.29 144.24 10.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.35 161.82 24.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.451 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -119.32 132.19 55.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.975 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -89.54 125.2 35.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.87 -148.69 8.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -50.25 171.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 t70 68.73 161.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 11' ' ' ILE . 1.1 mt 62.74 164.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' N ' ' CG2' ' A' ' 10' ' ' ILE . 3.6 mm -75.37 140.92 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' O ' ' HE2' ' A' ' 89' ' ' MET . 10.9 m170 -101.28 158.29 16.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 p -115.33 138.06 51.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -145.95 148.2 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.575 ' CD ' ' CE1' ' A' ' 87' ' ' HIS . 7.0 mtm180 -128.43 111.04 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.59 138.59 26.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -95.94 165.4 12.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -80.96 125.78 30.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 162.69 71.13 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.71 2.83 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.473 1.775 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.48 66.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' ARG . . . -165.07 63.82 0.23 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 36.2 -153.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 110.268 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -84.1 162.63 20.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.0 3.54 60.97 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' HB3' ' A' ' 24' ' ' LEU . 3.7 p90 -136.63 -178.12 5.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.31 128.75 40.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.87 148.01 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -121.14 175.0 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 48.75 -113.59 1.65 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' HA2' HD13 ' A' ' 38' ' ' ILE . . . 87.36 109.06 0.91 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.54 113.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -155.36 -47.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.6 65.53 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.64 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.39 -47.25 3.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.704 HD13 ' HE2' ' A' ' 39' ' ' PHE . 3.6 pp -46.19 170.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.94 -145.88 8.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.425 1.078 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.584 HD13 ' HA2' ' A' ' 31' ' ' GLY . 27.7 mm -86.68 143.64 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.704 ' HE2' HD13 ' A' ' 36' ' ' LEU . 95.5 m-85 -127.07 138.32 53.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 t -81.56 126.42 39.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.243 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.71 -54.48 3.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -132.1 169.11 16.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 54' ' ' LEU . 55.5 t -144.92 108.31 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.31 128.79 23.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.36 164.61 24.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.02 26.49 0.86 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.13 -178.35 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.613 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 2.4 m -77.41 -22.34 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -72.24 -69.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -31.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -84.79 -36.01 21.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' ' 48' ' ' SER . . . -64.58 -20.58 66.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 117.64 -8.91 14.85 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.437 1.085 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 88' ' ' MET . 15.6 tp -70.92 129.43 39.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.8 m -133.34 -172.57 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.324 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 42' ' ' LYS . 6.5 t -84.22 146.77 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.44 -26.09 15.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -51.15 149.2 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 12.5 tttt -128.23 101.03 6.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 88' ' ' MET . 5.7 mt -67.48 111.58 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 91' ' ' ARG . 33.6 p -90.47 -23.06 21.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.424 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 23.2 tt0 -159.78 157.72 29.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.971 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.5 p -157.09 142.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.31 23.24 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.72 -38.24 3.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.21 124.8 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.41 ' C ' HD23 ' A' ' 68' ' ' LEU . 29.2 t -78.36 140.66 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.971 HD11 ' CG1' ' A' ' 63' ' ' VAL . 8.4 mt -110.61 19.79 18.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -82.25 4.2 24.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.4 t -174.98 47.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.7 152.93 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 75' ' ' SER . 8.4 t -69.11 141.57 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 1.4 ttt -48.99 -51.44 30.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 77' ' ' VAL . . . -39.53 -69.65 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 79' ' ' VAL . 1.2 t -40.26 -58.62 1.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.002 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -46.76 -42.41 16.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.602 ' O ' HG22 ' A' ' 81' ' ' THR . 96.4 t -70.33 -57.02 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.21 -31.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 75' ' ' SER . 23.1 t -84.41 -45.22 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.585 HD22 ' HZ ' ' A' ' 26' ' ' PHE . 16.2 mt -61.32 -16.76 49.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.602 HG22 ' O ' ' A' ' 77' ' ' VAL . 7.4 t -109.7 5.57 22.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.365 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.509 ' O ' ' CB ' ' A' ' 83' ' ' SER . 33.0 t -129.34 84.17 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.964 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER 158.78 160.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t -111.87 0.08 16.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -157.88 91.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.11 146.18 28.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.575 ' CE1' ' CD ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -127.63 89.37 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -91.85 151.53 20.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.967 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 0.5 OUTLIER -125.23 111.97 15.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 111.013 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 34.2 m -102.86 154.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.563 ' CZ ' HG21 ' A' ' 61' ' ' THR . 0.1 OUTLIER -110.16 156.05 21.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.96 149.33 38.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.51 159.73 40.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.15 71.22 2.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -156.95 133.66 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.988 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.69 99.12 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.85 5.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.511 1.796 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.4 t 65.45 124.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.0 149.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.67 171.78 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.13 134.8 35.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.76 -57.15 0.55 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 71.3 -61.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 110.039 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.5 169.45 13.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.02 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.32 -121.07 0.99 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 t -143.18 -62.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.77 112.6 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 mt -123.38 154.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.594 HG23 ' HB3' ' A' ' 89' ' ' MET . 2.7 mm -89.92 149.83 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.72 ' O ' ' HE3' ' A' ' 89' ' ' MET . 10.2 m170 -110.83 154.73 23.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.4 p -119.0 135.56 54.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.9 p -145.88 149.47 16.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.34 105.09 6.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' HA ' ' A' ' 49' ' ' ALA . 82.0 t -93.43 121.47 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.63 160.91 24.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 19' ' ' SER . 6.7 ptmt -108.13 176.63 5.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.541 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER 158.26 -49.4 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.979 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 19' ' ' SER . 18.5 Cg_endo -74.95 -31.67 6.11 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 47.12 64.06 1.71 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.56 122.63 0.62 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.33 92.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 0.779 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.2 mm? -44.17 150.31 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.39 -8.96 40.76 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HE1' HD12 ' A' ' 24' ' ' LEU . 9.7 p90 -128.29 157.2 41.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.47 131.58 55.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 38' ' ' ILE . 17.3 m -110.61 148.44 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -127.12 169.25 13.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.7 -132.35 11.14 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.54 96.87 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 t -171.41 146.77 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -57.15 113.95 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 -56.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.84 69.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' C ' HD12 ' A' ' 36' ' ' LEU . 4.3 pp -169.47 165.72 10.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.71 -131.63 7.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.536 HG23 ' CE ' ' A' ' 73' ' ' MET . 12.0 mm -119.29 141.51 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CD2' ' HG3' ' A' ' 59' ' ' LYS . 75.1 m-85 -122.97 139.73 53.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 t -78.71 123.42 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.56 -55.22 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -137.9 167.84 20.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.5 t -145.58 109.02 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.06 131.44 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.42 160.29 31.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 44.95 30.8 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.6 p -101.0 179.63 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 0.758 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -74.29 -34.01 63.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' HA ' HG22 ' A' ' 16' ' ' VAL . . . -66.29 -62.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.78 -30.58 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.65 -34.09 18.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.83 -20.98 66.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.3 -13.35 9.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.7 tp -65.96 131.0 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.3 m -132.46 -177.21 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.287 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 42' ' ' LYS . 10.7 t -87.01 147.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.14 -28.7 10.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.43 ' HB3' HG11 ' A' ' 90' ' ' VAL . 12.2 m-20 -55.93 154.5 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 39' ' ' PHE . 19.6 tttt -129.14 108.56 10.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.6 mt -70.18 119.6 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.1 p -101.16 -21.87 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 63' ' ' VAL . 25.2 tt0 -164.55 157.43 17.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.929 ' CG1' HD11 ' A' ' 68' ' ' LEU . 2.1 p -158.97 139.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.529 HD22 HD23 ' A' ' 86' ' ' LEU . 0.7 OUTLIER 56.59 19.52 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.46 -40.73 2.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 120.66 11.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.51 135.08 38.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.929 HD11 ' CG1' ' A' ' 63' ' ' VAL . 5.3 mt -111.82 46.82 1.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.68 -6.13 30.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 p -151.41 27.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.456 HG21 HD22 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -112.9 164.31 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.369 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.9 p -91.23 159.57 15.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.706 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -50.79 -56.48 11.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.43 -69.76 0.79 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.469 1.105 . . . . 0.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -40.08 -60.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.975 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.616 ' HB1' HD13 ' A' ' 68' ' ' LEU . . . -48.12 -48.18 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 73' ' ' MET . 74.9 t -60.76 -43.27 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 81' ' ' THR . 4.0 mttt -51.46 -22.03 2.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.917 ' O ' HD21 ' A' ' 86' ' ' LEU . 43.9 t -97.02 -25.58 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.875 ' O ' HD21 ' A' ' 24' ' ' LEU . 16.1 mt -86.26 -12.44 49.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 77' ' ' VAL . 1.1 p -49.46 -52.68 27.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.442 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t 166.94 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 84' ' ' SER . 0.3 OUTLIER -141.25 22.67 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.046 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER 86.61 -43.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.961 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -162.16 101.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.917 HD21 ' O ' ' A' ' 79' ' ' VAL . 16.1 mt -83.89 135.81 34.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -122.13 89.93 3.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.6 mtm -90.86 144.72 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.72 ' HE3' ' O ' ' A' ' 12' ' ' HIS . 41.5 mmm -124.84 116.06 21.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.48 HG22 ' HB2' ' A' ' 12' ' ' HIS . 35.6 m -102.41 156.03 4.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 -110.66 106.97 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -101.73 165.28 11.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 54.6 mmm 60.83 136.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 116.31 61.2 0.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.6 t 65.2 124.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.72 143.3 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -179.58 5.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -149.64 -59.01 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.2 m -116.53 161.62 18.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.037 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -148.19 135.9 20.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 t -90.24 154.51 19.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.84 174.17 20.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -159.64 126.84 4.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -154.3 154.64 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.53 119.23 4.07 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.8 t -141.88 153.62 44.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.44 107.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.469 HD12 ' H ' ' A' ' 10' ' ' ILE . 5.3 mp -76.77 161.56 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' HG22 ' A' ' 10' ' ' ILE . 3.0 mm -101.34 145.86 10.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.491 ' HB2' HG22 ' A' ' 90' ' ' VAL . 9.5 m170 -108.1 128.64 54.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.453 ' HA ' ' CE ' ' A' ' 89' ' ' MET . 0.2 OUTLIER -97.83 129.59 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.039 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 52' ' ' ALA . 2.7 p -146.4 148.62 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -127.42 102.67 6.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.09 126.11 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -93.37 153.75 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 160.82 31.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.0 p -140.19 148.76 55.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.96 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 81.97 2.11 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.78 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -49.98 0.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.73 130.71 34.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD21 ' O ' ' A' ' 80' ' ' LEU . 1.1 mm? -51.7 152.08 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.34 -13.16 35.23 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.13 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 54' ' ' LEU . 10.7 p90 -124.39 156.01 37.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.69 129.45 55.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG23 ' CE ' ' A' ' 73' ' ' MET . 30.2 m -112.58 144.07 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.36 161.8 18.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.95 -113.75 3.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.78 59.66 1.63 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.3 p -118.58 170.42 8.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 0.789 . . . . 0.0 109.972 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.29 -51.92 2.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -42.58 -48.55 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.576 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.22 -85.55 0.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 36' ' ' LEU . 17.9 mt 52.08 177.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.47 -158.16 33.95 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 73' ' ' MET . 24.2 mm -110.11 111.53 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 16.4 m-85 -105.26 139.66 39.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 t -78.51 139.23 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.553 ' O ' HG21 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -118.96 -37.2 3.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -151.21 160.12 44.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.823 HG21 ' HA ' ' A' ' 55' ' ' CYS . 79.6 t -140.82 111.62 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.98 135.29 5.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.03 156.7 38.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.88 25.69 7.52 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.54 169.53 9.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.797 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -67.01 -35.91 80.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 52' ' ' ALA . . . -53.31 -68.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.54 -46.27 3.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -66.25 -39.42 89.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 14' ' ' VAL . . . -63.62 -25.46 68.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.62 -7.89 17.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 26' ' ' PHE . 29.2 tp -73.03 127.48 32.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.823 ' HA ' HG21 ' A' ' 43' ' ' VAL . 33.1 m -148.66 157.52 43.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.281 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 41' ' ' SER . 0.7 OUTLIER -61.44 152.05 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.76 -4.8 56.43 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.99 161.18 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 0.796 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 39' ' ' PHE . 8.6 tttt -128.78 110.46 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.7 mt -71.72 111.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.8 p -92.5 -19.17 22.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 63' ' ' VAL . 29.4 tt0 -160.38 158.18 29.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.849 ' CG1' HD11 ' A' ' 68' ' ' LEU . 1.9 p -156.74 134.89 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.503 HD22 HD23 ' A' ' 86' ' ' LEU . 1.1 t-20 55.82 21.86 5.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.56 -41.34 2.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 119.81 8.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.452 ' C ' HD23 ' A' ' 68' ' ' LEU . 46.0 t -77.13 134.24 38.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.849 HD11 ' CG1' ' A' ' 63' ' ' VAL . 10.7 mt -114.48 36.81 3.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.66 4.27 33.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.49 40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.87 156.01 42.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.2 p -65.32 -172.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.651 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.0 ttm -91.73 -61.19 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 75' ' ' SER . . . -42.05 -64.8 1.4 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.3 OUTLIER -38.87 -52.87 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.002 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 68' ' ' LEU . . . -59.64 -54.68 43.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.834 ' O ' HG22 ' A' ' 81' ' ' THR . 85.8 t -51.34 -44.32 31.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.29 -28.28 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.659 ' O ' HD21 ' A' ' 86' ' ' LEU . 71.0 t -96.44 -36.45 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.868 ' O ' HD21 ' A' ' 24' ' ' LEU . 5.5 mt -67.72 -15.83 63.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.834 HG22 ' O ' ' A' ' 77' ' ' VAL . 1.8 t -97.95 4.02 49.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.424 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 83' ' ' SER . 0.3 OUTLIER -137.71 -148.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.998 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 82' ' ' SER . 75.5 m 59.3 120.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -61.15 -14.24 23.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -162.67 106.6 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.659 HD21 ' O ' ' A' ' 79' ' ' VAL . 14.0 mt -83.83 143.12 30.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.556 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 0.1 OUTLIER -123.35 88.94 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 109.599 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HA ' ' HA ' ' A' ' 63' ' ' VAL . 22.0 mtm -89.82 146.95 24.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.487 ' HE2' ' O ' ' A' ' 12' ' ' HIS . 1.2 mmt -130.63 112.67 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.491 HG22 ' HB2' ' A' ' 12' ' ' HIS . 34.8 m -102.43 157.67 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -112.1 120.73 42.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -134.46 146.28 49.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 ptp -108.12 -11.02 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 92.39 110.47 1.85 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.4 t -104.63 -54.45 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.76 159.04 32.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -36.0 2.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 110.995 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.1 m 59.64 114.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -57.97 10.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.542 1.151 . . . . 0.0 110.965 179.968 . . . . . . . . 0 0 . 1 stop_ save_